Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.

Chlorinated biphenyls

Organic compounds


Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 3.23 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.05e-01 g/l ALOGPS
logP 3.62 ChemAxon
IUPAC Name 3-(2-chlorophenyl)benzene-1,2-diol ChemAxon
Traditional IUPAC Name 2′-chlorobiphenyl-2,3-diol ChemAxon
Molecular Weight 220.652 ChemAxon
Monoisotopic Weight 220.029107239 ChemAxon
SMILES OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1 ChemAxon
Molecular Formula C12H9ClO2 ChemAxon
InChI InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 59.96 ChemAxon
Polarizability 21.64 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.03 ChemAxon
pKa (strongest basic) -6.3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Biphenyl-2,3-diol 1,2-dioxygenase : in Burkholderia xenovorans (strain LB400)