Basic information
- CAS
69410-45-3- Standard SMILES
BrCc1cccc(Cc2ccccc2)c1- InChIKey
SMRQEXDKLSROFE-UHFFFAOYSA-N- Molecular formula
- C14H13Br
- Average molar mass
- 261.16 g/mol
- Monoisotopic mass
- 260.02006252
Names & identifiers
- Preferred name
- Benzene, 1-(bromomethyl)-3-(phenylmethyl)-
- IUPAC
- 1-benzyl-3-(bromomethyl)benzene
Names & synonyms
1-benzyl-3-(bromomethyl)benzene69410-45-3Benzene, 1-(bromomethyl)-3-(phenylmethyl)-3-benzylbenzyl bromideSCHEMBL7556197DTXSID70433861SMRQEXDKLSROFE-UHFFFAOYSA-NAC9441MFCD32632550SY261810
Database identifiers
- CAS
69410-45-3- PubChem CID
- 9992801
- DTXSID
DTXSID70433861
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Related reactions
4 records
Compound notes
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