Basic information
- Standard SMILES
N#Cc1cc(F)c(OCCCBr)c(F)c1- InChIKey
QHYSLMMINZZUOC-UHFFFAOYSA-N- Molecular formula
- C10H8BrF2NO
- Average molar mass
- 276.08 g/mol
Names & identifiers
- Preferred name
- 4-(3-Bromopropoxy)-3,5-difluorobenzonitrile
- IUPAC
- 4-(3-bromopropoxy)-3,5-difluorobenzonitrile
Names & synonyms
4-(3-Bromopropoxy)-3,5-difluorobenzonitrileSCHEMBL3122960QHYSLMMINZZUOC-UHFFFAOYSA-N872046-04-3DB-3396604-(3-Bromo-propoxy)-3,5-difluorobenzonitrile
Database identifiers
- PubChem CID
- 68520030
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
4 records
Compound notes
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