Basic information
- CAS
3506-83-0- Standard SMILES
C/C(CCc1ccc([N+](=O)[O-])cc1)=N\NC(N)=O- InChIKey
ROYGAIJYLCJHEP-UHFFFAOYSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10659032
Names & identifiers
- Preferred name
- 2-Butanone, 4-(p-nitrophenyl)-, semicarbazone
- IUPAC
- [(E)-4-(4-nitrophenyl)butan-2-ylideneamino]urea
- English name
- 4-(p-Nitrophenyl)-2-butanone semicarbazone
- Molecular formula
- C11H14N4O3
- Molecular weight
- 250.25
Names & synonyms
3506-83-02-BUTANONE, 4-(p-NITROPHENYL)-, SEMICARBAZONERefChem:10625314-(p-Nitrophenyl)-2-butanone semicarbazoneNSC 91716BRN 2591376NSC917160-07-00-00315 (Beilstein Handbook Reference)NSC-91716Hydrazinecarboxamide, 2-[1-methyl-3-(4-nitrophenyl)propylidene]-
Database identifiers
- CAS
3506-83-0- PubChem CID
- 5380293
- Nikkaji
- J42.069G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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