Methyl 2-amino-3-chlorobenzoate

C₈H₈ClNO₂CAS 77820-58-7185.61 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
logP: 1.71Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H317 May cause an allergic skin reaction60% of notifiers
H411 Toxic to aquatic life with long lasting effects60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

77820-58-7

SMILES

COC(=O)c1cccc(Cl)c1N

InChIKey

MSXSZFYRADEEJA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-amino-3-chloro-, methyl ester
3-Chloroanthranilic acid methyl ester
Methyl 3-chloroanthranilate
2-Amino-3-chlorobenzoic acid methyl ester

Work with Methyl 2-amino-3-chlorobenzoate

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

Methyl 2-chlorobenzoate610-96-872 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-768 % similar Methyl 2,3-dichlorobenzoate2905-54-668 % similar 2-Carbomethoxy-6-methylaniline22223-49-066 % similar Methyl 2-amino-3-methoxybenzoate5121-34-664 % similar 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-762 % similar Methyl 4-amino-2-chlorobenzoate46004-37-962 % similar Methyl 2,6-dichlorobenzoate14920-87-761 % 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 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 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

Elsewhere

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