Basic information
- Standard SMILES
CCOC(=O)/C=C/c1ccc(CBr)cc1C- InChIKey
YTHSKAQJEAOPDK-VOTSOKGWSA-N- Molecular formula
- C13H15BrO2
- Average molar mass
- 283.16 g/mol
Names & identifiers
- Preferred name
- Ethyl(2E)-3-[4-(bromomethyl)-2-methylphenyl]prop-2-enoate
- IUPAC
- ethyl (E)-3-[4-(bromomethyl)-2-methylphenyl]prop-2-enoate
Names & synonyms
SCHEMBL5860647YTHSKAQJEAOPDK-VOTSOKGWSA-NEthyl(2E)-3-[4-(bromomethyl)-2-methylphenyl]prop-2-enoate
Database identifiers
- PubChem CID
- 21986333
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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