Basic information
- CAS
4203-31-0- Standard SMILES
[N-]=[N+]=CC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
WGTLDEVOBZFRHV-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.03309102
Names & identifiers
- Preferred name
- Ethanone,2-diazo-(4-nitrophenyl)-
- IUPAC
- 2-diazo-1-(4-nitrophenyl)ethanone
Names & synonyms
4203-31-0Ethanone,2-diazo-(4-nitrophenyl)-2-Diazo-1-[4-nitrophenyl]-ethanone2-Diazo-1-(4-nitrophenyl)ethan-1-onep-Nitro-benzoyldiazomethanDTXSID40962219WGTLDEVOBZFRHV-UHFFFAOYSA-NNSC56359NSC 56359NSC-56359Ethanone, 2-diazo-(4-nitrophenyl)-2-Diazo-1-(4-nitro-phenyl)-ethanone
Database identifiers
- CAS
4203-31-0- PubChem CID
- 138152
- DTXSID
DTXSID40962219- Nikkaji
- J354.178I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
2 records
Compound notes
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