Basic information
- CAS
87763-91-5- Standard SMILES
C=C(Br)CC(O)CCCCCCCCC(=O)OCC- InChIKey
YNEMJMBOFFIRMI-UHFFFAOYSA-N- Molecular formula
- C15H27BrO3
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 334.11436
Names & identifiers
- Preferred name
- Ethyl 12-bromo-10-hydroxytridec-12-enoate
- IUPAC
- ethyl 12-bromo-10-hydroxytridec-12-enoate
Names & synonyms
87763-91-5ETHYL 12-BROMO-10-HYDROXYTRIDEC-12-ENOATEDTXSID30519650
Database identifiers
- CAS
87763-91-5- PubChem CID
- 13122829
- DTXSID
DTXSID30519650
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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