CAS 4704-77-2|3-Bromopropane-1,2-diol|3-bromo-1,2-propanediol|3-bromopropane-1,2-diol|α-Glycerol bromohydrin|3-溴-1,2-丙二醇|3-溴-1,2-并二酚|3-Bromo-1,2-propanediol|1-Bromo-2,3-dihydroxy-propane|(+...

General Information

Structure

Molecular Formula

C₃H₇BrO₂

Molecular Mass

154.99048

Exact Mass

153.96294146

Charge

InChI

InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2

InChIKey

SIBFQOUHOCRXDL-UHFFFAOYSA-N

Canonic Smiles

OCC(CBr)O

Isomeric Smiles

BrCC(CO)O

Calculated Properties

JChem

Acid pKa

13.625532

H Acceptors

H Donor

LogD (pH = 5.5)

-0.29892692

LogD (pH = 7.4)

-0.29892716

Log P

-0.2989269

Molar Refractivity

26.5506

Polarizability

10.551194

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-Bromopropane-1,2-diolα-Glycerol bromohydrin3-溴-1,2-丙二醇3-溴-1,2-并二酚3-Bromo-1,2-propanediol1-Bromo-2,3-dihydroxy-propane(+/-)-Glycerol 1-BromohydrinDL-Glycerol 1-Bromohydrin3-Bromo-1,2-dihydroxypropane3-Bromo-1,2-propanediolα-BromohydrinGlycerol Bromohydrin1-Bromo-2,3-propanediol1-Bromo-1-deoxyglycerolGlycerol α-Bromohydrin

IUPAC Traditional name

3-bromo-1,2-propanediol

IUPAC name

3-bromopropane-1,2-diol

Names and Identifiers

Registration numbers

PubChem CID

20827

PubChem SID

2485354516207453524850910

CAS Number

4704-77-2