2-(Amino{[(5-nitrofuran-2-yl)methylidene]hydrazinylidene}methyl)-1-hydroxy-1-oxohydrazin-1-ium
Basic information
- CAS
89418-54-2- Standard SMILES
NC(=NN=Cc1ccc([N+](=O)[O-])o1)N[N+](=O)O- InChIKey
AYLPLPKSUJRCHS-UHFFFAOYSA-N- Molecular formula
- C6H7N6O5+
- Average molar mass
- 243.16 g/mol
- Monoisotopic mass
- 243.04779235
Names & identifiers
- Preferred name
- 2-(Amino{[(5-nitrofuran-2-yl)methylidene]hydrazinylidene}methyl)-1-hydroxy-1-oxohydrazin-1-ium
- IUPAC
- hydroxy-[[N'-[(5-nitrofuran-2-yl)methylideneamino]carbamimidoyl]amino]-oxoazanium
Names & synonyms
89418-54-2DTXSID107009232-(Amino{[(5-nitrofuran-2-yl)methylidene]hydrazinylidene}methyl)-1-hydroxy-1-oxohydrazin-1-ium
Database identifiers
- CAS
89418-54-2- PubChem CID
- 53436670
- DTXSID
DTXSID10700923
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 362
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Compound notes
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