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CAS Number: 98191-30-1
3,5-dichloro-4-fluorobenzoic acid

Structure

3,5-dichloro-4-fluorobenzoic acid
Name: 3,5-dichloro-4-fluorobenzoic acid
Synonyms:
General Information
Product Number: 98191301
CAS Registry Number: 98191-30-1
Name:
        Benzoic acid, 3,​5-​dichloro-​4-​fluoro-
        3,​5-​Dichloro-​4-​fluorobenzoic acid 
 
Chemical Formula: C7H3Cl2FO2
Exact Mass: 207.95
Molecular Weight: 209.00
m/z: 207.95 (100.0%), 209.95 (64.3%), 211.94 (10.2%), 208.95 (7.6%), 210.95 (4.9%)
Elemental Analysis: C, 40.23; H, 1.45; Cl, 33.93; F, 9.09; O, 15.31
 
InChI: InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey: CRRHVMZOOBWYRG-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C(=C1Cl)F)Cl)C(=O)O

Specification

98%

References
  1. (1) Hormann, Robert Eugene; WO 2004078924 A2 2004 CAPLUS
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