Basic information
- CAS
1187237-71-3- Standard SMILES
COC(=O)c1ccc(-c2ccccc2)c(CBr)c1- InChIKey
YLOJFKIRGPBDTI-UHFFFAOYSA-N- Molecular formula
- C15H13BrO2
- Average molar mass
- 305.17 g/mol
- Monoisotopic mass
- 304.00989
Names & identifiers
- Preferred name
- Methyl 2-(bromomethyl)[1,1'-biphenyl]-4-carboxylate
- IUPAC
- methyl 3-(bromomethyl)-4-phenylbenzoate
Names & synonyms
1187237-71-3Methyl 2-(bromomethyl)[1,1'-biphenyl]-4-carboxylateDTXSID601223485Methyl 2-(bromomethyl)[1,1a(2)-biphenyl]-4-carboxylate
Database identifiers
- CAS
1187237-71-3- PubChem CID
- 54514656
- DTXSID
DTXSID601223485
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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