Basic information
- CAS
563538-35-2- Standard SMILES
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCNCC1- InChIKey
PINNDARXYRTTFA-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O3
- Average molar mass
- 269.68 g/mol
- Monoisotopic mass
- 269.0567189
Names & identifiers
- Preferred name
- (4-Chloro-3-nitrophenyl)(piperazin-1-YL)methanone
- IUPAC
- (4-chloro-3-nitrophenyl)-piperazin-1-ylmethanone
- English name
- (4-Chloro-3-nitrophenyl)(piperazin-1-yl)methanone
- Molecular formula
- C11H12ClN3O3
- Molecular weight
- 269.68
Names & synonyms
563538-35-2(4-CHLORO-3-NITROPHENYL)(PIPERAZIN-1-YL)METHANONE1-(4-Chloro-3-nitrobenzoyl)piperazineMFCD09037873(4-chloro-3-nitrophenyl)-piperazin-1-ylmethanoneDTXSID60653596GS3322AKOS022263396(4-chloro-3-nitro-phenyl)-piperazin-1-yl-methanone[O-][N+](=O)C1=CC(=CC=C1Cl)C(=O)N1CCNCC1(4-chloro-3-nitrophenyl)-(1-piperazinyl)methanoneMethanone, (4-chloro-3-nitrophenyl)-1-piperazinyl-
Database identifiers
- CAS
563538-35-2- PubChem CID
- 39283552
- DTXSID
DTXSID60653596- Nikkaji
- J1.894.799D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Chemistry & industry
Suppliers2 total
EvoBlocks, Ltd.[email protected]
ABCHEM-INC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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