2-Difluoromethoxy-6-nitrobenzonitrile

HCID 58100764CAS 1174315-55-9
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Basic information

Standard SMILES
N#Cc1c(OC(F)F)cccc1[N+](=O)[O-]
InChIKey
VXGYNZQVEFVLMA-UHFFFAOYSA-N
Molecular formula
C8H4F2N2O3
Average molar mass
214.13 g/mol
Monoisotopic mass
214.01899843

Names & identifiers

Preferred name
2-Difluoromethoxy-6-nitrobenzonitrile
IUPAC
2-(difluoromethoxy)-6-nitrobenzonitrile

Names & synonyms

2-difluoromethoxy-6-nitrobenzonitrileSCHEMBL969312DPJOMJVPHATJOO-UHFFFAOYSA-NVXGYNZQVEFVLMA-UHFFFAOYSA-NDTXSID4012810892-difluoromethoxy-6-nitro-benzonitrile2-(difluoromethoxy)-6-nitrobenzonitrile1174315-55-9

Database identifiers

CAS
1174315-55-9
PubChem CID
58100764
DTXSID
DTXSID401281089

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
78.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
15

Related reactions

4 records
New reaction record

Linked notes

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