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Substance Name: Flamprop [BSI:ISO]
RN: 58667-63-3
UNII: 3C7ST4DI17
InChIKey: YQVMVCCFZCMYQB-UHFFFAOYSA-N

Molecular Formula

  • C16-H13-Cl-F-N-O3

Molecular Weight

  • 321.734
 
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Names and Synonyms

Name of Substance

  • Flamprop [BSI:ISO]

Synonyms

  • Flamprop
  • N-Benzoyl-N-(3-chloro-4-fluorophenyl)-DL-alanine
  • UNII-3C7ST4DI17

Systematic Name

  • DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 58667-63-3

FDA UNII

  • 3C7ST4DI17

System Generated Number

  • 0058667633

Structure Descriptors

InChI

1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)

InChIKey

YQVMVCCFZCMYQB-UHFFFAOYSA-N

Smiles

c1(N(C(c2ccccc2)=O)[C@@H](C(O)=O)C)cc(c(F)cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.72 (none) 20 EXP
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 18.2 mg/L   EXP
Vapor Pressure 7.78E-09 mm Hg 25 EST
Henry's Law Constant 4.26E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.