Florasulam - analytical standard, ≥99.8% , CAS No.145701-23-1

CAS: 145701-23-1 Cat. No.: F118352 Peso molecular: 359.28 Número EC: 604-488-1

GRADE & PURITY Analytical standard, ≥99.8%

Synonyms

N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide | (1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONAMIDE, N-(2,6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY- | AMY12231 | Florasulam [ISO] | A884585 | CHEBI:82009 | N-(2,6-DIFLUOROPHE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(2, 6-Difluorophenyl)-8-fluoro-5-methoxy[1, 2, 4]triazolo[1, 5-c]pyrimidine-2-sulfonamide | (1, 2, 4)TRIAZOLO(1, 5-C)PYRIMIDINE-2-SULFONAMIDE, N-(2, 6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY- | AMY12231 | Florasulam [ISO] | A884585 | CHEBI:82009 | N-(2, 6-DIFLUOROPHE

Especificaciones y pureza

analytical standard, ≥99.8%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99.8%

Nombres e identificadores

• Sonrisas canónicas: COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F
• IUPAC Name: N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• InChIKey: QZXATCCPQKOEIH-UHFFFAOYSA-N
• INCHI: 1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
• Isómeros SMILES: COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F
• Peso molecular: 359.28
• Reaxy-Rn: 8932372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8932372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Triazolopyrimidines Halopyrimidines Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfanilide - Triazolopyrimidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Triazole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Propiedades químicas y físicas

• Peso molecular: 359.290 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 359.03 Da
• Monoisotopic Mass: 359.03 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 541.000
• 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