3-(3-Nitro-phenyl)-acrylonitrile

HCID 55669
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Basic information

Standard SMILES
N#CC=Cc1cccc([N+](=O)[O-])c1
InChIKey
YZJNQXWSVRISBC-UHFFFAOYSA-N
Molecular formula
C9H6N2O2
Average molar mass
174.16 g/mol

Names & identifiers

Preferred name
3-(3-Nitro-phenyl)-acrylonitrile
IUPAC
3-(3-nitrophenyl)prop-2-enenitrile

Names & synonyms

SCHEMBL100242SCHEMBL29453878YZJNQXWSVRISBC-UHFFFAOYSA-NAKOS0172695583-(3-NITRO-PHENYL)-ACRYLONITRILE

Database identifiers

PubChem CID
55669

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
69.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Related reactions

7 records
New reaction record

Compound notes

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