2-Nitro-4-propionylbenzonitrile

HCID 66934636
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Basic information

Standard SMILES
CCC(=O)c1ccc(C#N)c([N+](=O)[O-])c1
InChIKey
MYJQHYYFXAYNQZ-UHFFFAOYSA-N
Molecular formula
C10H8N2O3
Average molar mass
204.18 g/mol

Names & identifiers

Preferred name
2-Nitro-4-propionylbenzonitrile
IUPAC
2-nitro-4-propanoylbenzonitrile

Names & synonyms

2-nitro-4-propionylbenzonitrile2-Nitro-4-propanoylbenzonitrile889856-61-5SCHEMBL1184420MYJQHYYFXAYNQZ-UHFFFAOYSA-NA1-11943

Database identifiers

PubChem CID
66934636
Nikkaji
J2.470.467J

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
86.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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