Completing data — usually done within a minute
Basic information
- CAS
104309-89-9- Standard SMILES
O=C1C(Cl)=C(N2CCNCC2)C(=O)c2ccccc21- InChIKey
SMFSTOPZEJJSSV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.06655534
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-
- IUPAC
- 2-chloro-3-piperazin-1-ylnaphthalene-1,4-dione
Names & synonyms
104309-89-91,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-DTXSID80351426RefChem:220957DTXCID203024922-chloro-3-(piperazin-1-yl)naphthalene-1,4-dione3-chloro-2-piperazinyl-1,4-naphthoquinoneSCHEMBL10556652SMFSTOPZEJJSSV-UHFFFAOYSA-NSTK150188AKOS0002946892-CHLORO-3-PIPERAZINONAPHTHOQUINONE
Show more names
3-chloro-2-piperazinyl 1,4-naphthoquinoneST40826282-chloro-3-piperazinylnaphthalene-1,4-dioneAB00090263-013-chloro-2-(piperazin-1-yl)-1,4-naphthoquinone
Database identifiers
- CAS
104309-89-9- PubChem CID
- 699794
- DTXSID
DTXSID80351426- Nikkaji
- J2.245.163D
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Related reactions
6 records
Compound notes
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