Basic information
- CAS
6287-76-9- Standard SMILES
Cl.O=C(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
QFNBNQVPQQBFNR-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0927701
Names & identifiers
- Preferred name
- Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride
- IUPAC
- 1-(4-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
NSC 119536287-76-9Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride4'-Nitro-3-(1-pyrrolidinyl)propiophenone hydrochlorideDTXSID00212040RefChem:375493DTXCID001345311-(4-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochlorideNSC11953NSC-119531-(4-Nitrophenyl)-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
6287-76-9- PubChem CID
- 201585
- DTXSID
DTXSID00212040
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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