(2,5-Dimethyl-3-nitrophenyl)acetonitrile
Basic information
- CAS
57411-95-7- Standard SMILES
Cc1cc(CC#N)c(C)c([N+](=O)[O-])c1- InChIKey
ONEKRZQNJHXOGV-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- (2,5-Dimethyl-3-nitrophenyl)acetonitrile
- IUPAC
- 2-(2,5-dimethyl-3-nitrophenyl)acetonitrile
Names & synonyms
57411-95-7(2,5-dimethyl-3-nitrophenyl)acetonitrileNSC87679DTXSID30293185NSC-87679
Database identifiers
- CAS
57411-95-7- PubChem CID
- 258588
- DTXSID
DTXSID30293185
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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