Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
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Basic information
- CAS
51685-34-8- Standard SMILES
O=c1oc2ccccc2c(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-]- InChIKey
GIOHJKNNGCQEIU-UHFFFAOYSA-N- Molecular formula
- C19H17N3O4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.12190603
Names & identifiers
- Preferred name
- Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
- IUPAC
- 3-nitro-4-(4-phenylpiperazin-1-yl)chromen-2-one
Names & synonyms
51685-34-8COUMARIN, 3-NITRO-4-(4-PHENYL-1-PIPERAZINYL)-3-nitro-4-(4-phenylpiperazin-1-yl)-2H-chromen-2-one3-NITRO-4-(4-PHENYL-(PIPERAZIN-1-YL))COUMARINBRN 09006483-Nitro-4-(4-phenyl-1-piperazinyl)coumarinOprea1_006517DTXSID90199639AKOS000636285EU-0001129ST509939333-nitro-4-(4-phenylpiperazinyl)chromen-2-one
Show more names
AH-262/31957061SR-01000397494SR-01000397494-13-nitro-4-(4-phenyl-1-piperazinyl)-2H-chromen-2-one3-NITRO-4-(4-PHENYLPIPERAZINO)-2H-CHROMEN-2-ONE3-Nitro-4-(4-phenylpiperazin-1-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
51685-34-8- PubChem CID
- 40084
- DTXSID
DTXSID90199639- Nikkaji
- J67.698E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
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Related reactions
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Compound notes
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