Basic information
- Standard SMILES
COC(=O)C=Cc1ccc(Br)c(C)c1- InChIKey
BSGYIRXKEMCCNN-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 253.99424
Names & identifiers
- Preferred name
- Methyl 3-(4-bromo-3-methylphenyl)prop-2-enoate
- IUPAC
- methyl 3-(4-bromo-3-methylphenyl)prop-2-enoate
Database identifiers
- PubChem CID
- 77257588
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
1 records
Compound notes
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