(4-Fluoro-2,6-dinitrophenyl)acetonitrile
Basic information
- CAS
861107-04-2- Standard SMILES
N#CCc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-]- InChIKey
YMRGSCURJGICQS-UHFFFAOYSA-N- Molecular formula
- C8H4FN3O4
- Average molar mass
- 225.13 g/mol
- Monoisotopic mass
- 225.01858378
Names & identifiers
- Preferred name
- (4-Fluoro-2,6-dinitrophenyl)acetonitrile
- IUPAC
- 2-(4-fluoro-2,6-dinitrophenyl)acetonitrile
Names & synonyms
861107-04-2(4-Fluoro-2,6-dinitrophenyl)acetonitrile2-(4-fluoro-2,6-dinitrophenyl)acetonitrile2,6-Dinitro-4-fluoro-phenacetonitrileDTXSID70694596
Database identifiers
- CAS
861107-04-2- PubChem CID
- 53399258
- DTXSID
DTXSID70694596
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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