4-Chlorophthalic acid

C₈H₅ClO₄CAS 89-20-3200.57 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅ClO₄
Molar mass: 200.57 g/mol
Exact mass: 199.9876 Da
Melting point: 157 °C
logP: 1.74Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

89-20-3

SMILES

O=C(O)c1ccc(Cl)cc1C(=O)O

InChIKey

DVIPPHSQIBKWSA-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

4 names

1,2-Benzenedicarboxylic acid, 4-chloro-
Phthalic acid, 4-chloro-
4-Chloro-1,2-benzenedicarboxylic acid
NSC 57755

Work with 4-Chlorophthalic 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

2,5-Dichlorobenzoic acid50-79-375 % similar 2,4-Dichlorobenzoic acid50-84-072 % similar 5-Chlorosalicylic acid321-14-270 % similar 4-Chlorosalicylic acid5106-98-970 % similar 2-Amino-4-chlorobenzoic acid89-77-070 % similar 4-Chloro-2-iodobenzoic acid13421-13-168 % similar 2-Bromo-5-chlorobenzoic acid21739-93-568 % similar 5-Chloro-2-fluorobenzoic acid394-30-968 % similar

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

Elsewhere

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