β-Amino-4-chloro-3-nitrobenzenepropanoic acid

CAS Registry Number®

682804-60-0
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CAS Name

β-Amino-4-chloro-3-nitrobenzenepropanoic acid

Molecular Formula

C9H9ClN2O4

Molecular Mass

244.63

Cite this Page

β-Amino-4-chloro-3-nitrobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=682804-60-0 (retrieved 2024-09-08) (CAS RN: 682804-60-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9ClN2O4/c10-6-2-1-5(3-8(6)12(15)16)7(11)4-9(13)14/h1-3,7H,4,11H2,(H,13,14)

InChIKey

InChIKey=FWKPRIDXTRTCLJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-4-chloro-3-nitro-
  • β-Amino-4-chloro-3-nitrobenzenepropanoic acid
  • 3-Amino-3-(4-chloro-3-nitro-phenyl)-propionic acid
  • 3-Amino-3-(4-chloro-3-nitrophenyl)propanoic acid