Basic information
- Standard SMILES
N#CCC(O)c1cc(F)cc(Br)c1- InChIKey
DKNQORYUJDZJRR-UHFFFAOYSA-N- Molecular formula
- C9H7BrFNO
- Average molar mass
- 244.06 g/mol
- Monoisotopic mass
- 242.9695
Names & identifiers
- Preferred name
- 3-(3-Bromo-5-fluorophenyl)-3-hydroxypropanenitrile
- IUPAC
- 3-(3-bromo-5-fluorophenyl)-3-hydroxypropanenitrile
Names & synonyms
3-(3-bromo-5-fluorophenyl)-3-hydroxypropanenitrile1075178-33-4SCHEMBL4169011DKNQORYUJDZJRR-UHFFFAOYSA-NEN300-1914685
Database identifiers
- PubChem CID
- 68940532
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
10 records
Compound notes
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