4-Amino-5-chloro-2-ethoxybenzoic acid

C₉H₁₀ClNO₃CAS 108282-38-8215.63 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₉H₁₀ClNO₃
Molar mass: 215.63 g/mol
Exact mass: 215.0349 Da
Melting point: 167–168 °C
logP: 2.02Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108282-38-8

SMILES

CCOc1cc(N)c(Cl)cc1C(=O)O

InChIKey

XWGYOMHQGQZRLC-UHFFFAOYSA-N

InChI

InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 4-amino-5-chloro-2-ethoxy-
2-Ethoxy-4-amino-5-chlorobenzoic acid

Work with 4-Amino-5-chloro-2-ethoxybenzoic 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

4-Amino-5-chloro-2-methoxybenzoic acid7206-70-470 % similar 2-Amino-4,5-dichlorobenzoic acid20776-61-856 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-751 % similar 2-Ethoxybenzoic acid134-11-251 % similar 2-Amino-4-bromo-5-chlorobenzoic acid150812-32-150 % similar 4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid123654-26-249 % similar 4-Amino-5-(ethylthio)-o-anisic acid71675-86-048 % similar 3,4,5-Triethoxybenzoic acid6970-19-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-L-tyrosine7423-93-0 1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride93983-01-8

Elsewhere

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