Basic information
- Standard SMILES
N#CC(F)c1ccc(-c2nc3ccccc3o2)cc1Cl- InChIKey
LUSJIOHBMUKOMY-UHFFFAOYSA-N- Molecular formula
- C15H8ClFN2O
- Average molar mass
- 286.69 g/mol
Names & identifiers
- Preferred name
- [4-(1,3-Benzoxazol-2-yl)-2-chlorophenyl](fluoro)acetonitrile
- IUPAC
- 2-[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-fluoroacetonitrile
Names & synonyms
SCHEMBL5832586LUSJIOHBMUKOMY-UHFFFAOYSA-N[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl](fluoro)acetonitrile
Database identifiers
- PubChem CID
- 21990957
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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