Basic information
- CAS
5468-74-6- Standard SMILES
Cc1ccc(O)c(Cc2ccccc2Br)c1- InChIKey
ZNIDNYDBMKCRHD-UHFFFAOYSA-N- Molecular formula
- C14H13BrO
- Average molar mass
- 277.16 g/mol
- Monoisotopic mass
- 276.01498
Names & identifiers
- Preferred name
- 2-(2-Bromobenzyl)-4-methylphenol
- IUPAC
- 2-[(2-bromophenyl)methyl]-4-methylphenol
Names & synonyms
2-[(2-bromophenyl)methyl]-4-methylphenol5468-74-62-(2-bromobenzyl)-4-methylphenolNSC15070DTXSID40280001NSC-15070
Database identifiers
- CAS
5468-74-6- PubChem CID
- 225532
- DTXSID
DTXSID40280001
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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