2-Amino-5-chloro-3-methylbenzoic acid

C₈H₈ClNO₂CAS 20776-67-4185.61 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
Melting point: above 197 °C (decomposes)
logP: 1.93Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction27.6% of notifiers
H412 Harmful to aquatic life with long lasting effects71.7% of notifiers

Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

20776-67-4

SMILES

Cc1cc(Cl)cc(C(=O)O)c1N

InChIKey

KOPXCQUAFDWYOE-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 2-amino-5-chloro-3-methyl-
m-Toluic acid, 2-amino-5-chloro-
3-Methyl-5-chloroanthranilic acid
2-Amino-3-methyl-5-chlorobenzoic acid

Work with 2-Amino-5-chloro-3-methylbenzoic 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-3,5-dimethylbenzoic acid14438-32-567 % similar 3,5-Dichloroanthranilic acid2789-92-667 % similar 2-Amino-5-bromo-3-methylbenzoic acid206548-13-263 % similar 2-Amino-5-chloro-N,3-dimethylbenzamide890707-28-560 % similar 2-Amino-3-methylbenzoic acid4389-45-159 % similar 5-Chloro-2-methylbenzoic acid7499-06-159 % similar 4-Chloro-2-methylbenzoic acid7499-07-259 % similar 4-Chloro-2,6-dimethylaniline24596-18-756 % similar

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

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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