Basic information
- Standard SMILES
N#Cc1ccc(OCCCBr)c(F)c1- InChIKey
UZEUOBUXHNNHRN-UHFFFAOYSA-N- Molecular formula
- C10H9BrFNO
- Average molar mass
- 258.09 g/mol
Names & identifiers
- Preferred name
- 4-(3-Bromopropoxy)-3-fluorobenzonitrile
- IUPAC
- 4-(3-bromopropoxy)-3-fluorobenzonitrile
Names & synonyms
4-(3-Bromopropoxy)-3-fluorobenzonitrileSCHEMBL3121798UZEUOBUXHNNHRN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68519630
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
5 records
Compound notes
Loading…