3,5-Dichlorobenzoic acid

C₇H₄Cl₂O₂CAS 51-36-5191.01 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: 188 °C
logP: 2.69Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

51-36-5

SMILES

O=C(O)c1cc(Cl)cc(Cl)c1

InChIKey

CXKCZFDUOYMOOP-UHFFFAOYSA-N

InChI

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

Work with 3,5-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-Bromo-5-chlorobenzoic acid42860-02-674 % similar 3-Amino-5-chlorobenzoic acid21961-30-871 % similar 3-Chlorobenzoic acid535-80-867 % similar Trimesic acid554-95-064 % similar 4-Chlorobenzoic acid74-11-362 % similar 2,4,6-Trichlorobenzoic acid50-43-157 % similar 3,4,5-Trichlorobenzoic acid51-39-857 % similar 2,6-Dichloroisonicotinic acid5398-44-757 % 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 2,4-Dichlorobenzoic acid50-84-0 3,4-Dichlorobenzoic acid51-44-5 3,5-Dichlorosalicylaldehyde90-60-8

Elsewhere

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