5,2'-Difluoro-5'-nitrobiphenyl-2-carbonitrile
Basic information
- CAS
425378-91-2- Standard SMILES
N#Cc1ccc(F)cc1-c1cc([N+](=O)[O-])ccc1F- InChIKey
IKHCLVKMQLZMFD-UHFFFAOYSA-N- Molecular formula
- C13H6F2N2O2
- Average molar mass
- 260.19 g/mol
- Monoisotopic mass
- 260.03973387
Names & identifiers
- Preferred name
- 5,2'-Difluoro-5'-nitrobiphenyl-2-carbonitrile
- IUPAC
- 4-fluoro-2-(2-fluoro-5-nitrophenyl)benzonitrile
Names & synonyms
5,2'-difluoro-5'-nitrobiphenyl-2-carbonitrileSCHEMBL2649443IKHCLVKMQLZMFD-UHFFFAOYSA-NDTXSID401220659425378-91-22',5-Difluoro-5'-nitro[1,1'-biphenyl]-2-carbonitrile2a(2),5-Difluoro-5a(2)-nitro[1,1a(2)-biphenyl]-2-carbonitrile
Database identifiers
- CAS
425378-91-2- PubChem CID
- 22285285
- DTXSID
DTXSID401220659
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
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Related reactions
10 records
Compound notes
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