1-Nitro-2-nitrosobenzene

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Basic information

CAS: 612-29-3
Standard SMILES: O=Nc1ccccc1[N+](=O)[O-]
InChIKey: NSGVPXKWKUZSAY-UHFFFAOYSA-N
Molecular formula: C6H4N2O3
Average molar mass: 152.11 g/mol
Monoisotopic mass: 152.02219199

Names & identifiers

Preferred name: 1-Nitro-2-nitrosobenzene
IUPAC: 1-nitro-2-nitrosobenzene

Names & synonyms

1-Nitro-2-nitrosobenzene612-29-3DTXSID60976712RefChem:1056098DTXCID701404082nitronitrosobenzeneNSC5226561-Nitro-2-nitroso-benzeneBenzene, 1-nitro-2-nitroso-SCHEMBL4365348SCHEMBL30184963NSC-522656

Show more names

10.14272/NSGVPXKWKUZSAY-UHFFFAOYSA-N.1doi:10.14272/NSGVPXKWKUZSAY-UHFFFAOYSA-N.1

Database identifiers

CAS: 612-29-3
PubChem CID: 351683
DTXSID: DTXSID60976712
Nikkaji: J96.494H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 166

Experimental & physicochemical properties

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Compound notes

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