Basic information
- CAS
77367-94-3- Standard SMILES
O=C(C(Cl)Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
QZSWOUHAFDFMTK-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2N3O3
- Average molar mass
- 318.15 g/mol
- Monoisotopic mass
- 317.03339664
Names & identifiers
- Preferred name
- ST50911991
- IUPAC
- 2,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Names & synonyms
77367-94-3ST50911991DTXSID40385525RefChem:381681DTXCID503365482,2-dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanonePiperazine, 1-(dichloroacetyl)-4-(4-nitrophenyl)-Cambridge id 5256912SCHEMBL11194107QZSWOUHAFDFMTK-UHFFFAOYSA-NSTK416511AKOS003277507
Show more names
1-(4-nitrophenyl)-4-dichloroacetyl-piperazine1-(dichloroacetyl)-4-(4-nitrophenyl)piperazineSR-01000201356SR-01000201356-12,2-dichloro-1-[4-(4-nitrophenyl)piperazinyl]ethan-1-one2,2-Dichloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one2,2-dichloro-1-(4-(4-nitrophenyl)piperazine-1-yl)ethan-1-one
Database identifiers
- CAS
77367-94-3- PubChem CID
- 2837846
- DTXSID
DTXSID40385525
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
2 records
Compound notes
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