Basic information
- CAS
7251-26-5- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)c1C#N- InChIKey
KYUUFJVTIQMYLH-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-nitrobenzonitrile
- IUPAC
- 2,6-dimethyl-3-nitrobenzonitrile
Names & synonyms
7251-26-52,6-dimethyl-3-nitrobenzonitrileNSC44281DTXSID40286225NSC-44281
Database identifiers
- CAS
7251-26-5- PubChem CID
- 239334
- DTXSID
DTXSID40286225
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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