1,2-Dichloro-Propane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.

Organochlorides

Organic compounds

Organohalogen compounds

Organochlorides

Calculated Property

kind Value Source
logP 2.13 ALOGPS
logS -1.7 ALOGPS
Water Solubility 2.11e+00 g/l ALOGPS
logP 1.92 ChemAxon
IUPAC Name (2R)-1,2-dichloropropane ChemAxon
Traditional IUPAC Name 1,2-dichloro-propane ChemAxon
Molecular Weight 112.986 ChemAxon
Monoisotopic Weight 111.984655606 ChemAxon
SMILES C[C@@H](Cl)CCl ChemAxon
Molecular Formula C3H6Cl2 ChemAxon
InChI InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1 ChemAxon
InChIKey InChIKey=KNKRKFALVUDBJE-GSVOUGTGSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 25.07 ChemAxon
Polarizability 10.3 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Haloalkane dehalogenase : in Pseudomonas paucimobilis