Basic information
- Standard SMILES
C=C(C)c1cccc([N+](=O)[O-])c1C#N- InChIKey
XSPCZEDRMHHSMS-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-6-(prop-1-en-2-yl)benzonitrile
- IUPAC
- 2-nitro-6-prop-1-en-2-ylbenzonitrile
Names & synonyms
SCHEMBL2413505XSPCZEDRMHHSMS-UHFFFAOYSA-N2-Nitro-6-(prop-1-en-2-yl)benzonitrile
Database identifiers
- PubChem CID
- 67398341
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
2 records
Compound notes
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