Basic information
- Standard SMILES
COC(=O)/C=C/c1ccccc1OCCCBr- InChIKey
XQSDKRSYZSROOC-BQYQJAHWSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
- Monoisotopic mass
- 298.02046
Names & identifiers
- Preferred name
- Methyl(E)-3-(2-(3-bromopropoxy)phenyl)-2-propenoate
- IUPAC
- methyl (E)-3-[2-(3-bromopropoxy)phenyl]prop-2-enoate
Names & synonyms
SCHEMBL7957308SCHEMBL31155819XQSDKRSYZSROOC-BQYQJAHWSA-NMethyl(E)-3-(2-(3-bromopropoxy)phenyl)-2-propenoateMethyl (E)-3-(2-(3-bromopropoxy)-phenyl)-2-propenoate
Database identifiers
- PubChem CID
- 22008973
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
1 records
Compound notes
Loading…