chempirical

Methyl 2-amino-3-chlorobenzoate

C8H8ClNO2CAS 77820-58-7185.61 g/mol

Open in Covalent MOL file
OOClH2N
Aryl halideEsterPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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 Dimethyl phthalate131-11-358 % similar Methyl anthranilate134-20-357 % similar Methyl 2,5-dichlorobenzoate2905-69-357 % similar Methyl 2,4-dichlorobenzoate35112-28-857 % similar

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

Same formula

(αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloronicotinate49608-01-7 Methyl 2-amino-5-chlorobenzoate5202-89-1 Methyl 2-amino-4-chlorobenzoate5900-58-3 1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-4 α-Amino-4-chlorobenzeneacetic acid6212-33-5 α-Amino-4-chlorobenzeneacetic acid7292-70-8

Elsewhere

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