Basic information
- Standard SMILES
CC(CN(C)C)C(=O)c1cccc([N+](=O)[O-])c1- InChIKey
FXFCSPFGQINMOB-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-2-methyl-1-(3-nitro-phenyl)-propan-1-one
- IUPAC
- 3-(dimethylamino)-2-methyl-1-(3-nitrophenyl)propan-1-one
Names & synonyms
3-(dimethylamino)-2-methyl-1-(3-nitro-phenyl)-propan-1-oneSCHEMBL2007067SCHEMBL12162944FXFCSPFGQINMOB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67245331
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
1 records
Linked notes
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