Basic information
- CAS
333346-56-8- Standard SMILES
CC1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1- InChIKey
FCSIYNVDXLKTKY-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-2-nitrophenyl)(3-methylpiperidin-1-yl)methanone
- IUPAC
- (4-chloro-2-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
- English name
- 1-{4-chloro-2-nitrobenzoyl}-3-methylpiperidine
- Molecular formula
- C13H15ClN2O3
- Molecular weight
- 282.72
Names & synonyms
(4-chloro-2-nitrophenyl)(3-methylpiperidin-1-yl)methanone(4-chloro-2-nitrophenyl)-(3-methylpiperidin-1-yl)methanoneCambridge id 56498084-chloro-2-nitrophenyl 3-methylpiperidyl ketoneOprea1_162603Oprea1_374618STK037451AKOS000675580AKOS016862713333346-56-8ST503007371-{4-chloro-2-nitrobenzoyl}-3-methylpiperidine
Show more names
Methanone, (4-chloro-2-nitrophenyl)(3-methyl-1-piperidinyl)-
AK-968/11574844Z28190400
Database identifiers
- CAS
333346-56-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 440.4 · 440.4±35.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- -2.35 · -2.35±0.40(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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