Basic information
- Standard SMILES
C=CCOc1cc(Cl)c(C#N)cc1Br- InChIKey
PGLUYTSDKWSKHD-UHFFFAOYSA-N- Molecular formula
- C10H7BrClNO
- Average molar mass
- 272.52 g/mol
Names & identifiers
- Preferred name
- 4-(Allyloxy)-5-bromo-2-chlorobenzonitrile
- IUPAC
- 5-bromo-2-chloro-4-prop-2-enoxybenzonitrile
Names & synonyms
4-(Allyloxy)-5-bromo-2-chlorobenzonitrileSCHEMBL14126070PGLUYTSDKWSKHD-UHFFFAOYSA-NDB-4254921347748-21-3
Database identifiers
- PubChem CID
- 86714036
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
4 records
Compound notes
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