2,4-Dichlorobenzoic acid

C₇H₄Cl₂O₂CAS 50-84-0191.01 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
Melting point: 164.2 °C
logP: 2.69Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

50-84-0

SMILES

O=C(O)c1ccc(Cl)cc1Cl

InChIKey

ATCRIUVQKHMXSH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2,4-dichloro-
NSC 578

Work with 2,4-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

4-Chlorophthalic acid89-20-372 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-170 % similar 4-Chlorosalicylic acid5106-98-966 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-966 % similar 2-Amino-4-chlorobenzoic acid89-77-066 % similar 4-Chloro-2-iodobenzoic acid13421-13-164 % similar 2-Chloro-4-fluorobenzoic acid2252-51-964 % similar 4-Amino-2-chlorobenzoic acid2457-76-364 % similar

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

Same formula

2,6-Dichlorobenzoic acid50-30-6 2,3-Dichlorobenzoic acid50-45-3 2,5-Dichlorobenzoic acid50-79-3 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 3,5-Dichlorosalicylaldehyde90-60-8

Elsewhere

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