chempirical

4-Chlorobenzoic acid

C7H5ClO2CAS 74-11-3156.56 g/mol

Open in Covalent MOL file
OHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H5ClO2
Molar mass
156.56 g/mol
Exact mass
155.9978 Da
Density
1.5 g/mL
Melting point
243 °C
Boiling point
275 °C
logP
2.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
74-11-3
SMILES
O=C(O)c1ccc(Cl)cc1
InChIKey
XRHGYUZYPHTUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

10 names
  • Benzoic acid, 4-chloro-
  • Benzoic acid, p-chloro-
  • p-Chlorbenzoic acid
  • p-Chlorobenzoic acid
  • p-Carboxychlorobenzene
  • Mycosid
  • NSC 143358
  • NSC 32738
  • NSC 8444
  • 4-CBA

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalic acid100-21-071 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-662 % similar 3,5-Dichlorobenzoic acid51-36-562 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-359 % similar 4,4′-Oxybis[benzoic acid]2215-89-658 % similar 4-Hydroxybenzoic acid99-96-758 % similar 4,4′-Dichlorobenzil3457-46-356 % similar

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

Same formula

2-Chlorobenzoic acid118-91-2 Phenyl chloroformate1885-14-9 2-Chloro-5-methyl-1,4-benzoquinone19832-87-2 3-Chloro-4-hydroxybenzaldehyde2420-16-8 3-Chlorobenzoic acid535-80-8 2-Chloro-4-hydroxybenzaldehyde56962-11-9 5-Chlorosalicylaldehyde635-93-8 5-Chloro-1,3-benzodioxole7228-38-8

Elsewhere

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