3-Chloro-4-(1-methylethyl)benzoic acid

CAS Registry Number®

161622-06-6
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CAS Name

3-Chloro-4-(1-methylethyl)benzoic acid

Molecular Formula

C10H11ClO2

Molecular Mass

198.65

Cite this Page

3-Chloro-4-(1-methylethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=161622-06-6 (retrieved 2024-09-07) (CAS RN: 161622-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11ClO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)

InChIKey

InChIKey=QQTIONOTZKDOIE-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(Cl)=C(C(C)C)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C(Cl)=C1)C(C)C

Other Names for this Substance

  • Benzoic acid, 3-chloro-4-(1-methylethyl)-
  • 3-Chloro-4-(1-methylethyl)benzoic acid
  • 3-Chloro-4-isopropylbenzoic acid
  • 3-Chloro-4-(propan-2-yl)benzoic acid