4-[3-Bromo-4-(hydroxymethyl)phenoxy]benzonitrile
Basic information
- CAS
906673-46-9- Standard SMILES
N#Cc1ccc(Oc2ccc(CO)c(Br)c2)cc1- InChIKey
ODHQGPRIKQEZEK-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO2
- Average molar mass
- 304.14 g/mol
- Monoisotopic mass
- 302.98949
Names & identifiers
- Preferred name
- 4-[3-Bromo-4-(hydroxymethyl)phenoxy]benzonitrile
- IUPAC
- 4-[3-bromo-4-(hydroxymethyl)phenoxy]benzonitrile
Names & synonyms
906673-46-94-[3-bromo-4-(hydroxymethyl)phenoxy]benzonitrileSCHEMBL596525DTXSID101240195DA-40675
Database identifiers
- CAS
906673-46-9- PubChem CID
- 66738696
- DTXSID
DTXSID101240195
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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