1-Nitro-4-nitrosobenzene
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Basic information
- CAS
4485-08-9- Standard SMILES
O=Nc1ccc([N+](=O)[O-])cc1- InChIKey
IDZTUECABAHWLE-UHFFFAOYSA-N- Molecular formula
- C6H4N2O3
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.02219199
Names & identifiers
- Preferred name
- 1-Nitro-4-nitrosobenzene
- IUPAC
- 1-nitro-4-nitrosobenzene
Names & synonyms
1-Nitro-4-nitrosobenzeneBenzene, 1-nitro-4-nitroso-4485-08-9p-nitro-nitrosobenzenep-nitronitrosobenzenep-nitrosonitrobenzene4-nitro-nitrosobenzeneSCHEMBL4365351DTXSID90196320IDZTUECABAHWLE-UHFFFAOYSA-NMFCD01571005SY365436
Show more names
10.14272/IDZTUECABAHWLE-UHFFFAOYSA-N.1doi:10.14272/IDZTUECABAHWLE-UHFFFAOYSA-N.1InChI=1/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4
Database identifiers
- CAS
4485-08-9- PubChem CID
- 643547
- DTXSID
DTXSID90196320- Nikkaji
- J886.809C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
1 records
Compound notes
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