Cloransulam-methyl , CAS No.147150-35-4

CAS: 147150-35-4 Cat. No.: C1067605 EC Number: 604-573-3 PubChem CID: 86453

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F
• IUPAC Name: methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
• InChIKey: BIKACRYIQSLICJ-UHFFFAOYSA-N
• INCHI: 1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
• Isomeric SMILES: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F
• Alternate CAS: 147150-35-4
• PubChem CID: 86453
• MeSH Entry Terms: cloransulam-methyl

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Sulfanilides 3-halobenzoic acids and derivatives Triazolopyrimidines Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Halopyrimidines Organosulfonamides Aryl chlorides Aryl fluorides Vinylogous amides Triazoles Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoate ester - Sulfanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Triazolopyrimidine - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Halopyrimidine - Organosulfonic acid amide - Aryl halide - Pyrimidine - Aryl chloride - Aryl fluoride - Aminosulfonyl compound - Heteroaromatic compound - Vinylogous amide - Methyl ester - 1,2,4-triazole - Triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Anilide 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 429.800 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 429.031 Da
• Monoisotopic Mass: 429.031 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 668.000
• 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