1-Bromopropane-2-Ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.

Bromohydrins

Organic compounds

Organohalogen compounds

Halohydrins

Bromohydrins

Calculated Property

kind Value Source
logP 0.76 ALOGPS
logS -0.35 ALOGPS
Water Solubility 6.18e+01 g/l ALOGPS
logP 0.75 ChemAxon
IUPAC Name (2S)-1-bromopropan-2-ol ChemAxon
Traditional IUPAC Name 1-bromopropane-2-ol ChemAxon
Molecular Weight 138.991 ChemAxon
Monoisotopic Weight 137.968027493 ChemAxon
SMILES C[C@H](O)CBr ChemAxon
Molecular Formula C3H7BrO ChemAxon
InChI InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1 ChemAxon
InChIKey InChIKey=WEGOLYBUWCMMMY-VKHMYHEASA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 25.01 ChemAxon
Polarizability 10.23 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 14.73 ChemAxon
pKa (strongest basic) -2.9 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