Methyl 3-amino-5-chloro-2-hydroxybenzoate

C₈H₈ClNO₃CAS 5043-81-2201.61 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol Primary amine

Properties

Molecular formula: C₈H₈ClNO₃
Molar mass: 201.61 g/mol
Exact mass: 201.0193 Da
logP: 1.41Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5043-81-2

SMILES

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

InChIKey

YPSOMLZFAVONTN-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,10H2,1H3

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Work with Methyl 3-amino-5-chloro-2-hydroxybenzoate

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-amino-4-chlorobenzoate5900-58-364 % similar Methyl 2-amino-5-chlorobenzoate5202-89-163 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-455 % similar Methyl 5-hydroxyanthranilate1882-72-051 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-051 % similar Methyl 2,5-dichlorobenzoate2905-69-350 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-349 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-649 % similar

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

Same formula

1-(2-Chloroethoxy)-4-nitrobenzene3383-72-0 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-4

Elsewhere

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