4-Amino-5-chloro-2-methoxybenzoic acid

C₈H₈ClNO₃CAS 7206-70-4201.61 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₈H₈ClNO₃
Molar mass: 201.61 g/mol
Exact mass: 201.0193 Da
logP: 1.63Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7206-70-4

SMILES

COc1cc(N)c(Cl)cc1C(=O)O

InChIKey

RVEATKYEARPWRE-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)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

8 names

Benzoic acid, 4-amino-5-chloro-2-methoxy-
o-Anisic acid, 4-amino-5-chloro-
4-Amino-5-chloro-o-anisic acid
5-Chloro-4-amino-2-ethoxybenzoic acid
5-Chloro-4-amino-2-methoxybenzoic acid
2-Methoxy-4-amino-5-chlorobenzoic acid
4-Amino-5-chloro-2-(methyloxy)benzoic acid
4-Amino-5-chloro-3-methoxybenzoic acid

Work with 4-Amino-5-chloro-2-methoxybenzoic 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-4,5-dimethoxybenzoic acid5653-40-771 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-870 % similar 2-Amino-4,5-dichlorobenzoic acid20776-61-863 % similar 2,4,5-Trimethoxybenzoic acid490-64-263 % similar 4-Acetamido-5-chloro-2-methoxybenzoic acid24201-13-661 % similar 4-Amino-5-(ethylthio)-o-anisic acid71675-86-059 % similar 4-Amino-o-anisic acid2486-80-857 % similar 5-Chloro-2-methoxybenzoic acid3438-16-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Chloroethoxy)-4-nitrobenzene3383-72-0 Methyl 3-amino-5-chloro-2-hydroxybenzoate5043-81-2

Elsewhere

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