2-[1-(3-Nitrophenyl)ethylidene]hydrazine-1-carboximidic acid
Basic information
- CAS
22107-29-5- Standard SMILES
CC(=NNC(N)=O)c1cccc([N+](=O)[O-])c1- InChIKey
SJBOAXXIKAEBCX-UHFFFAOYSA-N- Molecular formula
- C9H10N4O3
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.07529019
Names & identifiers
- Preferred name
- 2-[1-(3-Nitrophenyl)ethylidene]hydrazine-1-carboximidic acid
- IUPAC
- [1-(3-nitrophenyl)ethylideneamino]urea
Names & synonyms
DTXSID209447502-[1-(3-Nitrophenyl)ethylidene]hydrazine-1-carboximidic acid
Database identifiers
- CAS
22107-29-5- PubChem CID
- 264647
- DTXSID
DTXSID20944750
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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