Carbonyl cyanide 2-nitrophenylhydrazone
Basic information
- CAS
55653-13-9- Standard SMILES
N#CC(C#N)=NNc1ccccc1[N+](=O)[O-]- InChIKey
NKWOBFAONPVDDE-UHFFFAOYSA-N- Molecular formula
- C9H5N5O2
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.04432442
Overview
structure given in first source
Names & identifiers
- Preferred name
- Carbonyl cyanide 2-nitrophenylhydrazone
- IUPAC
- 2-[(2-nitrophenyl)hydrazinylidene]propanedinitrile
- English name
- carbonyl cyanide 2-nitrophenylhydrazone
- Molecular formula
- C9H5N5O2
- Molecular weight
- 215.17
Names & synonyms
Carbonyl cyanide 2-nitrophenylhydrazone55653-13-9DTXSID802041802-nitrophenylhydrazonopropanedinitrileRefChem:1236372-PHPDNDTXCID801266712-[(2-nitrophenyl)hydrazinylidene]propanedinitrile(2-nitrophenyl)carbonohydrazonoyl dicyanideBRN 1821080Mesoxalonitrile, (o-nitrophenyl)hydrazone((2-Nitrophenyl)hydrazono)propanedinitrile
Show more names
Propanedinitrile, 2-[2-(2-nitrophenyl)hydrazinylidene]-
Propanedinitrile, ((2-nitrophenyl)hydrazono)-STK526269AKOS002663314ST080019[2-(2-nitrophenyl)hydrazinylidene]propanedinitrile{[(2-nitrophenyl)amino]azamethylene}methane-1,1-dicarbonitrile
Database identifiers
- CAS
55653-13-9- PubChem CID
- 108745
- DTXSID
DTXSID80204180
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
LogP1.61
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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