Basic information
- CAS
62522-73-0- Standard SMILES
O=C(OCC(O)CBr)c1ccccc1- InChIKey
WPROCBDMOWIRCU-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 3-Bromo-2-hydroxypropyl benzoate
- IUPAC
- (3-bromo-2-hydroxypropyl) benzoate
- English name
- Benzoic acid 2-hydroxy-3-bromopropyl ester
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
3-bromo-2-hydroxypropyl benzoate62522-73-0DTXSID80978117RefChem:1067413DTXCID4014054431-Benzoyloxy-3-bromopropan-2-olBRN 5428675BENZOIC ACID, 3-BROMO-2-HYDROXYPROPYL ESTERBenzoic acid 2-hydroxy-3-bromopropyl esterCHEMBL3276483DB-3510633-Bromo-2-hydroxypropyl=benzoate
Show more names
1,2-Propanediol, 3-bromo-, 1-benzoate
Database identifiers
- CAS
62522-73-0- PubChem CID
- 44087
- DTXSID
DTXSID80978117- ChEMBL
CHEMBL3276483- Nikkaji
- J73.881F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 370 · 370.0±32.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- pka
- 12.68 · 12.68±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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