4-Nitroso-5-phenylimidazole

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Basic information

CAS: 106232-36-4
Standard SMILES: O=Nc1nc[nH]c1-c1ccccc1
InChIKey: LFIVWAMAAWKOGO-UHFFFAOYSA-N
Molecular formula: C9H7N3O
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.05891186

Names & identifiers

Preferred name: 4-Nitroso-5-phenylimidazole
IUPAC: 4-nitroso-5-phenyl-1H-imidazole

Names & synonyms

4-Nitroso-5-phenylimidazole4(5)-Nitroso-5(4)-phenylimidazole106232-36-4NF0AM8600CCCRIS 14854-nitroso-5-phenyl-1H-imidazoleUNII-NF0AM8600CCHEMBL113235SCHEMBL22868425DTXSID701475521H-Imidazole, 4-nitroso-5-phenyl-1H-IMIDAZOLE, 5-NITROSO-4-PHENYL-

Show more names

IMIDAZOLE, 4(OR 5)-NITROSO-5(OR 4)-PHENYL-Q27284836InChI=1/C9H7N3O/c13-12-9-8(10-6-11-9)7-4-2-1-3-5-7/h1-6H,(H,10,11

Database identifiers

CAS: 106232-36-4
PubChem CID: 163758
DTXSID: DTXSID70147552
ChEMBL: CHEMBL113235
UNII: NF0AM8600C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 180

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Compound notes

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