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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 ホーム 化学・生化学 参考資料 Chlorimuron ethyl - analytical standard , CAS No.90982-32-4 Chlorimuron ethyl - analytical standard , CAS No.90982-32-4
グレード＆純度 Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Synonyms
Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, ethyl ester|Chlorimuron ethyl ester|ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate|ethyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate|DPX-F 6025|Ethyl 2-(4-chloro-6-methoxy-2-pyrimidinylcarbamoylsulfamoyl)benzoate|2-[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid ethyl ester|CHLORIMURON-ETHYL [MI]|ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate|Ethyl 2-(((((4-chloro-6-methoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)benzoate|Ethyl 2-(((((4-chloro-6-methoxyprimidin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate|Chlorimuron ethyl|ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)benzoate|ethyl 2-(N-(4-chloro-6-methoxypyrimidin-2-ylcarbamoyl)sulfamoyl)benzoate|Benzoic acid, 2-(((((4-chloro-6-methoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, ethyl ester|ethyl 2-[({[(4-chloro-6-methoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate|2-[[(4-chloro-6-methoxypyrimidin-2-yl)aminocarbonyl]aminosulfonyl]benzoic acid ethyl ester|Chlorimuron-ethyl [ISO]|Ethyl 2-(((4-chloro-6-methoxypyrimidine-2-yl)aminocarbonyl)aminosulfonyl)benzoate|2-(((((4-Chloro-6-methoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)benzoic acid ethyl ester|CHLORIMURON-ETHYL|CHLORIMURON-ETHYL [HSDB]|ethyl 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate|ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate|Classic|2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER
仕様 同義語
Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, ethyl ester | Chlorimuron ethyl ester | ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate | ethyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate | DPX-F 6025 | Ethyl 2-(4-chloro-6-methoxy-2-pyrimi もっと見る
名前と識別子 カノニカル・スマイル
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
IUPAC Name
ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
InChIKey
NSWAMPCUPHPTTC-UHFFFAOYSA-N
INCHI
1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
異性体SMILES
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7448363&ln=
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organic nitrogen compounds 分類 Organonitrogen compounds Subclass Sulfonylureas Intermediate Tree Nodes Not available Direct Parent Pyrimidinyl-2-sulfonylureas Alternative Parents Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Alkyl aryl ethers Halopyrimidines Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrimidinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound 説明 This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position. External Descriptors Sulfonylurea herbicides Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 融点（°C） 186°C 分子量 414.800 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 414.04 Da Monoisotopic Mass 414.04 Da Topological Polar Surface Area 145.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 628.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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