2,3-Dichlorobenzoic acid

C₇H₄Cl₂O₂CAS 50-45-3191.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄Cl₂O₂
Molar mass: 191.01 g/mol
Exact mass: 189.9588 Da
logP: 2.69Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

50-45-3

SMILES

O=C(O)c1cccc(Cl)c1Cl

InChIKey

QAOJBHRZQQDFHA-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

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

Names and synonyms

1 names

Benzoic acid, 2,3-dichloro-

Work with 2,3-Dichlorobenzoic 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

3-Chlorosalicylic acid1829-32-965 % similar 3-Bromo-2-chlorobenzoic acid56961-27-465 % similar 2,3,6-Trichlorobenzoic acid50-31-763 % similar 2-Chloro-3-fluorobenzoic acid102940-86-363 % similar 2,3,5-Trichlorobenzoic acid50-73-763 % similar 2-Amino-3-chlorobenzoic acid6388-47-263 % similar 3-Chloro-2-methylbenzoic acid7499-08-363 % similar 2,3,4,5-Tetrachlorobenzoic acid50-74-861 % similar

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

Same formula

2,6-Dichlorobenzoic acid50-30-6 2,5-Dichlorobenzoic acid50-79-3 2,4-Dichlorobenzoic acid50-84-0 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 3,5-Dichlorosalicylaldehyde90-60-8

Elsewhere

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