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Substance Name: Fluoroglycofen [ANSI:BSI:ISO]
RN: 77501-60-1
UNII: 2U44V3F1K2
InChIKey: DHAHEVIQIYRFRG-UHFFFAOYSA-N

Molecular Formula

  • C16-H9-Cl-F3-N-O7

Molecular Weight

  • 419.694
 
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Names and Synonyms

Name of Substance

  • Fluoroglycofen [ANSI:BSI:ISO]

Synonyms

  • 5-((2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy)-2-nitrobenzoic acid ester with glycolic acid
  • Carboxymethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate
  • Fluoroglicofene
  • Fluoroglicofene [ISO-French]
  • Fluoroglycofen
  • O-(5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoyl)glycolic acid
  • UNII-2U44V3F1K2

Systematic Name

  • Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, carboxymethyl ester

Registry Numbers

CAS Registry Number

  • 77501-60-1

FDA UNII

  • 2U44V3F1K2

System Generated Number

  • 0077501601

Structure Descriptors

InChI

1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)

InChIKey

DHAHEVIQIYRFRG-UHFFFAOYSA-N

Smiles

Clc1cc(C(F)(F)F)ccc1Oc1cc(C(=O)OCC(=O)O)c([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.27 (none)   EXP
Water Solubility 0.527 mg/L 25 EST
Vapor Pressure 4.79E-10 mm Hg 25 EST
Henry's Law Constant 1.02E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.96E-12 cm3/molecule-sec 25 EST

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