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Home> Hot Product Listed 2   > 2-CYANO-3-(2,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
1309569-30-9 structure

2-CYANO-3-(2,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Iupac Name:[3-(dichloromethyl)-4-nitrophenyl]-pentafluoro-$l^{6}-sulfane
CAS No.:1309569-30-9
Molecular Weight:332.066g/mol
Molecular Formula:C8H14BRNO3 (isomer)
Names and Identifiers
Synonyms

acm3288468 AK431169 AKOS027393665 CTK8I2223 CYANO-(2,4-DICHLOROBENZOYL)ACETIC ACID ETHYL ESTER ethyl 2-cyano-3-(2,4-dichlorophenyl)-3-oxopropanoate

Inchi
InChI=1S/C7H4Cl2F5NO2S/c8-7(9)5-3-4(18(10,11,12,13)14)1-2-6(5)15(16)17/h1-3,7H
InChkey
SJKDGWSQHQSZHT-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(Cl)Cl)[N+](=O)[O-]
Computational chemical data
  • Molecular Weight:332.066g/molg/mol
  • Molecular Formula:C8H14BRNO3
  • Compound Is Canonicalized:True
  • Exact Mass:330.926
  • Monoisotopic Mass:330.926
  • Complexity:356
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:46.8A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMcBGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAYEAAQADAuBWMAwwYAQQACB AiRCQwCCAAAgAgAoiBgAZooIICKBkZGAIABggAAIyAcQgAAOAAQAgAACAAAACAEAAAQAAAAAAAAA AA==
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