Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester

CAS Registry Number®

1205-50-1
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CAS Name

Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester

Molecular Formula

C9H9ClO4

Molecular Mass

216.62

Cite this Page

Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1205-50-1 (retrieved 2024-09-20) (CAS RN: 1205-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9ClO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3

InChIKey

InChIKey=ONPNTTNXLNYIJM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester
  • Vanillic acid, 5-chloro-, methyl ester
  • Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
  • 3-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester