Basic information
- Standard SMILES
N#CCc1cc(N)c(F)cc1Cl- InChIKey
OGFVQFUONFUOEC-UHFFFAOYSA-N- Molecular formula
- C8H6ClFN2
- Average molar mass
- 184.6 g/mol
Names & identifiers
- Preferred name
- 2-(5-Amino-2-chloro-4-fluorophenyl)acetonitrile
- IUPAC
- 2-(5-amino-2-chloro-4-fluorophenyl)acetonitrile
Names & synonyms
2-(5-amino-2-chloro-4-fluorophenyl)acetonitrile110323-16-5SCHEMBL10472977OGFVQFUONFUOEC-UHFFFAOYSA-N5-Amino-2-chloro-4-fluorobenzyl cyanide
Database identifiers
- PubChem CID
- 23036747
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
5 records
Compound notes
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