1,4-Naphthalenedione, 2-chloro-3-(1-piperazinyl)-

HCID 699794

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

Related reactions

6 records

Compound notes

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