1,3,5-Trichloro-Benzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.

Chlorobenzenes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Halobenzenes

Calculated Property

kind Value Source
logP 4.08 ALOGPS
logS -3.8 ALOGPS
Water Solubility 3.10e-02 g/l ALOGPS
logP 3.79 ChemAxon
IUPAC Name 1,3,5-trichlorobenzene ChemAxon
Traditional IUPAC Name 1,3,5-trichlorobenzene ChemAxon
Molecular Weight 181.447 ChemAxon
Monoisotopic Weight 179.930033217 ChemAxon
SMILES ClC1=CC(Cl)=CC(Cl)=C1 ChemAxon
Molecular Formula C6H3Cl3 ChemAxon
InChI InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H ChemAxon
InChIKey InChIKey=XKEFYDZQGKAQCN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 40.47 ChemAxon
Polarizability 15.54 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Camphor 5-monooxygenase : in Pseudomonas putida