4-[(1-Carboxy-2-methylpropyl)amino]-3-chlorobenzoic acid

CAS Registry Number®

85236-41-5

CAS Name

4-[(1-Carboxy-2-methylpropyl)amino]-3-chlorobenzoic acid

Molecular Formula

C12H14ClNO4

Molecular Mass

271.70

Cite this Page

4-[(1-Carboxy-2-methylpropyl)amino]-3-chlorobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85236-41-5 (retrieved 2024-12-02) (CAS RN: 85236-41-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14ClNO4/c1-6(2)10(12(17)18)14-9-4-3-7(11(15)16)5-8(9)13/h3-6,10,14H,1-2H3,(H,15,16)(H,17,18)

InChIKey

InChIKey=QKMSBJLCYMYIND-UHFFFAOYSA-N

SMILES

N(C(C(C)C)C(O)=O)C1=C(Cl)C=C(C(O)=O)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-[(1-carboxy-2-methylpropyl)amino]-3-chloro-
  • Benzoic acid, 4-[(1-carboxy-2-methylpropyl)amino]-3-chloro-, (±)-
  • 4-[(1-Carboxy-2-methylpropyl)amino]-3-chlorobenzoic acid

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