Basic information
- CAS
288154-78-9- Standard SMILES
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1- InChIKey
WDBLKANQIMBLDU-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0458199
Names & identifiers
- Preferred name
- (4-Chloro-3-nitrophenyl)-1-pyrrolidinylmethanone
- IUPAC
- (4-chloro-3-nitrophenyl)-pyrrolidin-1-ylmethanone
Names & synonyms
288154-78-9(4-Chloro-3-nitrophenyl)-1-pyrrolidinylmethanoneRefChem:2086701-(4-chloro-3-nitrobenzoyl)pyrrolidine(4-chloro-3-nitrophenyl)(pyrrolidin-1-yl)methanoneMFCD00487316(4-chloro-3-nitrophenyl)-pyrrolidin-1-ylmethanonepyrrolidine, 1-(4-chloro-3-nitrobenzoyl)-Oprea1_266521Oprea1_834142(4-Chloro-3-nitro-phenyl)-pyrrolidin-1-yl-methanoneDTXSID601236254
Show more names
ALBB-023270STK025096AKOS000152595LS-07301ST0123524-chloro-3-nitrophenyl pyrrolidinyl ketoneCS-0314981EU-0050985
Database identifiers
- CAS
288154-78-9- PubChem CID
- 720702
- DTXSID
DTXSID601236254
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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