2-Hexenoic acid, 4,5-dibromo-, methyl ester
Basic information
- CAS
89728-24-5- Standard SMILES
COC(=O)C=CC(Br)C(C)Br- InChIKey
WPDGJLZQRVLHNN-UHFFFAOYSA-N- Molecular formula
- C7H10Br2O2
- Average molar mass
- 285.96 g/mol
- Monoisotopic mass
- 283.90475
Names & identifiers
- Preferred name
- 2-Hexenoic acid, 4,5-dibromo-, methyl ester
- IUPAC
- methyl 4,5-dibromohex-2-enoate
Names & synonyms
89728-24-52-Hexenoic acid, 4,5-dibromo-, methyl esterMETHYL 4,5-DIBROMOHEX-2-ENOATEDTXSID30342329
Database identifiers
- CAS
89728-24-5- PubChem CID
- 580809
- DTXSID
DTXSID30342329
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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