Toluene, 4-nitro-2-nitroso-
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Basic information
- CAS
82414-02-6- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N=O- InChIKey
NOIZTWYRRJGHAL-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.03784206
Names & identifiers
- Preferred name
- Toluene, 4-nitro-2-nitroso-
- IUPAC
- 1-methyl-4-nitro-2-nitrosobenzene
- English name
- Benzene, 1-methyl-4-nitro-2-nitroso-
- Molecular weight
- 0
Names & synonyms
2-Nitroso-4-nitrotolueneToluene, 4-nitro-2-nitroso-CCRIS 176482414-02-6Benzene, 1-methyl-4-nitro-2-nitroso-DTXSID70231728RefChem:385657DTXCID001542191-methyl-4-nitro-2-nitrosobenzeneDUY5ENC5UMSCHEMBL11494910AKOS006279570
Database identifiers
- CAS
82414-02-6- PubChem CID
- 149999
- DTXSID
DTXSID70231728- UNII
- DUY5ENC5UM
- Nikkaji
- J1.036.383G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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