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Home> Hot Product Listed N   > N-(2-CHLORO-PHENYL)-2-HYDROXYIMINO-3-OXO-BUTYRAMIDE
84233-61-4 structure

N-(2-CHLORO-PHENYL)-2-HYDROXYIMINO-3-OXO-BUTYRAMIDE

Iupac Name:2-(1,3-thiazolidine-3-carbonyl)benzoic acid
CAS No.:84233-61-4
Molecular Weight:237.273
Molecular Formula:C9H6F6O4S2 (isomer)
Names and Identifiers
Synonyms

CTK5D5618 DTXSID50700386 n-(2-chlorophenyl)-2-(hydroxyimino)-3-oxobutanamide n-(2-chlorophenyl)-2-(n-hydroxyimino)-3-oxobutanamide n-(2-chlorophenyl)-2-hydroxyimino-3-oxobutanamide

Inchi
InChI=1S/C11H11NO3S/c13-10(12-5-6-16-7-12)8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,14,15)
InChkey
XVAYJUBRRZOANH-UHFFFAOYSA-N
Canonical Smiles
C1CSCN1C(=O)C2=CC=CC=C2C(=O)O
Properties
Boiling Point
402.1°C at 760 mmHg
Refractive Index
1.657
Flash Point
617.3°C
Computational chemical data
  • Molecular Weight:237.273g/mol
  • Molecular Formula:C9H6F6O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:237.046
  • Monoisotopic Mass:237.046
  • Complexity:295
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:82.9A^2
  • Heavy Atom Count:16
  • 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: AAADccByMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgQACAAADADF2ASwCIMAAgiI AiHSGACCAABkABAIiAEIDMgIJjKAlRGEcQhkxgGImYe/yKCOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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