Methyl 4-(3-bromoprop-1-enyl)benzoate
Basic information
- CAS
87808-24-0- Standard SMILES
COC(=O)c1ccc(C=CCBr)cc1- InChIKey
YRQTYFBFNPDSAA-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 253.99424
Names & identifiers
- Preferred name
- Methyl 4-(3-bromoprop-1-enyl)benzoate
- IUPAC
- methyl 4-(3-bromoprop-1-enyl)benzoate
Names & synonyms
87808-24-0Methyl 4-(3-bromoprop-1-en-1-yl)benzoateSCHEMBL6942432DTXSID40711946AKOS017874760
Database identifiers
- CAS
87808-24-0- PubChem CID
- 54523741
- DTXSID
DTXSID40711946
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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