Acetanilide, 2-fluoro-2',4',5'-trichloro-

HCID 32017

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Basic information

CAS: 23595-40-6
Standard SMILES: O=C(CF)Nc1cc(Cl)c(Cl)cc1Cl
InChIKey: YVJPREDLAWMTFC-UHFFFAOYSA-N
Molecular formula: C8H5Cl3FNO
Average molar mass: 256.5 g/mol
Monoisotopic mass: 254.942075

Names & identifiers

Preferred name: Acetanilide, 2-fluoro-2',4',5'-trichloro-
IUPAC: 2-fluoro-N-(2,4,5-trichlorophenyl)acetamide
English name: 2-Fluoro-2',4',5'-trichloroacetanilide
Molecular formula: C8H5Cl3FNO
Molecular weight: 256.49

Names & synonyms

2-Fluoro-2',4',5'-trichloroacetanilide23595-40-6BRN 2115448ACETANILIDE, 2-FLUORO-2',4',5'-TRICHLORO-DTXSID10178244RefChem:315755DTXCID401007352-fluoro-N-(2,4,5-trichlorophenyl)acetamideAcetamide, 2-fluoro-N-(2,4,5-trichlorophenyl)-

Database identifiers

CAS: 23595-40-6
PubChem CID: 32017
DTXSID: DTXSID10178244
Nikkaji: J79.171G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 384.1 · 384.1±42.0 °C(Predicted)
Density: 1.565 · 1.565±0.06 g/cm3(Predicted)
pka: 10.24 · 10.24±0.70(Predicted)

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