chempirical

Pcb 31

C12H7Cl3CAS 16606-02-3257.54 g/mol

Open in Covalent MOL file
ClClCl
Aryl halide

Properties

Molecular formula
C12H7Cl3
Molar mass
257.54 g/mol
Exact mass
255.9613 Da
Melting point
67 °C
logP
5.31Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
16606-02-3
SMILES
Clc1ccc(-c2cc(Cl)ccc2Cl)cc1
InChIKey
VAHKBZSAUKPEOV-UHFFFAOYSA-N
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H

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Names and synonyms

6 names
  • 1,1′-Biphenyl, 2,4′,5-trichloro-
  • Biphenyl, 2,4′,5-trichloro-
  • 2,4′,5-Trichloro-1,1′-biphenyl
  • 2,4′,5-Trichlorobiphenyl
  • 4,2′,5′-Trichlorobiphenyl
  • Delor 103

Work with Pcb 31

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

2,2′,5,5′-Tetrachlorobiphenyl35693-99-373 % similar 1,2,4-Trichlorobenzene120-82-154 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 2-Bromo-1,4-dichlorobenzene1435-50-346 % similar 2,5-Dichlorotoluene19398-61-946 % similar 1,4-Dichloro-2-iodobenzene29682-41-546 % similar 2,5-Dichlorophenol583-78-846 % similar 2,5-Dichlorobenzenethiol5858-18-446 % similar

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

Elsewhere

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