4-(4-Bromobenzyl)benzene-1,3-diol
Basic information
- CAS
6280-41-7- Standard SMILES
Oc1ccc(Cc2ccc(Br)cc2)c(O)c1- InChIKey
MDIKBMQPDBNOSV-UHFFFAOYSA-N- Molecular formula
- C13H11BrO2
- Average molar mass
- 279.13 g/mol
- Monoisotopic mass
- 277.99424
Names & identifiers
- Preferred name
- 4-(4-Bromobenzyl)benzene-1,3-diol
- IUPAC
- 4-[(4-bromophenyl)methyl]benzene-1,3-diol
Names & synonyms
6280-41-74-(4-bromobenzyl)benzene-1,3-diol4-[(4-bromophenyl)methyl]benzene-1,3-diolNSC11148SCHEMBL875665DTXSID70279044NSC-11148
Database identifiers
- CAS
6280-41-7- PubChem CID
- 223469
- DTXSID
DTXSID70279044
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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