4-Acetamido-5-chloro-2-methoxybenzoic acid

C₁₀H₁₀ClNO₄CAS 24201-13-6243.64 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₀ClNO₄
Molar mass: 243.64 g/mol
Exact mass: 243.0298 Da
logP: 2.01Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

24201-13-6

SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

InChIKey

GOXCIWMHHSVOKW-UHFFFAOYSA-N

InChI

InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(16-2)6(10(14)15)3-7(8)11/h3-4H,1-2H3,(H,12,13)(H,14,15)

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Names and synonyms

1 names

4-Acetamino-5-chloro-2-methoxyl benzoic acid

Work with 4-Acetamido-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

4-Amino-5-chloro-2-methoxybenzoic acid7206-70-461 % similar 2,4,5-Trimethoxybenzoic acid490-64-252 % similar Methyl 4-acetamido-5-chloro-2-ethoxybenzoate4235-43-252 % similar 5-Chloro-2-methoxybenzoic acid3438-16-249 % similar 4-Chloro-2-methoxybenzoic acid57479-70-649 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-647 % similar 3-Chloro-2-methoxybenzoic acid3260-93-347 % similar 2-Chloro-4-methoxybenzoic acid21971-21-146 % similar

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

Elsewhere

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