Basic information
- CAS
85078-26-8- Standard SMILES
Cc1ccc(C(C[N+](=O)[O-])c2ccc(C)cc2)cc1- InChIKey
UJXJGTJGQDRICC-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Benzene, 1,1'-(2-nitroethylidene)bis(4-methyl-
- IUPAC
- 1-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]benzene
Names & synonyms
85078-26-8Benzene, 1,1'-(2-nitroethylidene)bis(4-methyl-1,1'-(2-nitroethane-1,1-diyl)bis(4-methylbenzene)DTXSID50234156
Database identifiers
- CAS
85078-26-8- PubChem CID
- 190064
- DTXSID
DTXSID50234156- Nikkaji
- J1.917.698C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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