chempirical

2,3,4,5-Tetrachlorobenzoic acid

C7H2Cl4O2CAS 50-74-8259.89 g/mol

Open in Covalent MOL file
OHOClClClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H2Cl4O2
Molar mass
259.89 g/mol
Exact mass
257.8809 Da
Melting point
190.5–191.5 °C
logP
4.00Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
50-74-8
SMILES
O=C(O)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIKey
FUXMTEKFGUWSNC-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)

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Names and synonyms

1 names
  • Benzoic acid, 2,3,4,5-tetrachloro-

Work with 2,3,4,5-Tetrachlorobenzoic 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

3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-468 % similar 2,3,5-Trichlorobenzoic acid50-73-768 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-167 % similar 4,5-Dichlorophthalic acid56962-08-467 % similar 2,3-Dichlorobenzoic acid50-45-361 % similar 3,4,5-Trichlorobenzoic acid51-39-860 % similar 2,3,4,5-Tetrachlorobenzoyl chloride42221-52-358 % similar 2,3,5-Trichloro-6-hydroxybenzoic acid40932-60-356 % similar

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

Elsewhere

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