chempirical

2-Amino-5-chlorobenzoic acid

C7H6ClNO2CAS 635-21-2171.58 g/mol

Open in Covalent MOL file
H2NClOOH
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H6ClNO2
Molar mass
171.58 g/mol
Exact mass
171.0087 Da
Melting point
210 °C (decomposes)
logP
1.62Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
635-21-2
SMILES
Nc1ccc(Cl)cc1C(=O)O
InChIKey
IFXKXCLVKQVVDI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

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Names and synonyms

6 names
  • Benzoic acid, 2-amino-5-chloro-
  • Anthranilic acid, 5-chloro-
  • 5-Chloroanthranilic acid
  • 5-Chloro-2-aminobenzoic acid
  • NSC 404157
  • 2-Carboxy-4-chloroaniline

Work with 2-Amino-5-chlorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4-chlorobenzoic acid89-77-077 % similar 4-Chlorophthalic acid89-20-368 % similar 2,5-Dichlorobenzoic acid50-79-366 % similar 2-Amino-5-chlorobenzamide5202-85-765 % similar Chloramben133-90-463 % similar 5-Chlorosalicylic acid321-14-262 % similar 5-Hydroxyanthranilic acid394-31-062 % similar 2-Bromo-5-chlorobenzoic acid21739-93-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 3-Amino-4-chlorobenzoic acid2840-28-0

Elsewhere

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