chempirical

2-(Acetylamino)-6-chlorobenzoic acid

C9H8ClNO3CAS 19407-42-2213.62 g/mol

Open in Covalent MOL file
OHNClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H8ClNO3
Molar mass
213.62 g/mol
Exact mass
213.0193 Da
Melting point
204–207 °C
logP
2.65Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
19407-42-2
SMILES
CC(O)=Nc1cccc(Cl)c1C(=O)O
InChIKey
VFHSJTHAMJFUCK-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-(acetylamino)-6-chloro-
  • Anthranilic acid, N-acetyl-6-chloro-
  • N-Acetyl-6-chloroanthranilic acid
  • 2-Acetamido-6-chlorobenzoic acid
  • 2-Chloro-6-acetamidobenzoic acid

Work with 2-(Acetylamino)-6-chlorobenzoic 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

N-(2-Chlorophenyl)acetamide533-17-563 % similar 2,6-Dichlorobenzoic acid50-30-661 % similar N-(3-Chloro-2-methylphenyl)acetamide7463-35-658 % similar N-Acetylanthranilic acid89-52-158 % similar 2-Chloro-6-methylbenzoic acid21327-86-655 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-053 % similar 2-Amino-6-chlorobenzoic acid2148-56-351 % similar 2-Chloro-6-fluorobenzoic acid434-75-351 % similar

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

Same formula

4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid123654-26-2

Elsewhere

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