Basic information
- CAS
550306-34-8- Standard SMILES
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
AOCRAWYVRKQBGG-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2N3O3
- Average molar mass
- 380.2 g/mol
- Monoisotopic mass
- 379.0490467
Names & identifiers
- Preferred name
- (4-Chloro-2-nitrophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
- IUPAC
- (4-chloro-2-nitrophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
- English name
- 1-{4-chloro-2-nitrobenzoyl}-4-(4-chlorophenyl)piperazine
- Molecular formula
- C17H15Cl2N3O3
- Molecular weight
- 380.2253
Names & synonyms
(4-chloro-2-nitrophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone1-{4-chloro-2-nitrobenzoyl}-4-(4-chlorophenyl)piperazineOprea1_330158STK433624AKOS003264978ST50917100AK-968/121025014-chloro-2-nitrophenyl 4-(4-chlorophenyl)piperazinyl ketone(4-chloro-2-nitrophenyl)[4-(4-chlorophenyl)piperazin-1-yl]methanone550306-34-8
Database identifiers
- CAS
550306-34-8- PubChem CID
- 1220976
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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