3,2'-Difluoro-5'-nitrobiphenyl-2-carbonitrile

HCID 22285282
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1c(F)cccc1-c1cc([N+](=O)[O-])ccc1F
InChIKey
NNSOZCIWUOMQPT-UHFFFAOYSA-N
Molecular formula
C13H6F2N2O2
Average molar mass
260.19 g/mol

Names & identifiers

Preferred name
3,2'-Difluoro-5'-nitrobiphenyl-2-carbonitrile
IUPAC
2-fluoro-6-(2-fluoro-5-nitrophenyl)benzonitrile

Names & synonyms

SCHEMBL2648863NNSOZCIWUOMQPT-UHFFFAOYSA-N3,2'-difluoro-5'-nitrobiphenyl-2-carbonitrile3,2'-difluoro-5'-nitro-biphenyl-2-carbonitrile

Database identifiers

PubChem CID
22285282

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

Related reactions

7 records
New reaction record

Compound notes

Loading…