2,2',4,4',6,6'-Hexamethyl-3,3'-dinitro-1,1'-biphenyl
Basic information
- CAS
4164-40-3- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1-c1c(C)cc(C)c([N+](=O)[O-])c1C- InChIKey
NCBPQWXNTYUZBM-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- 2,2',4,4',6,6'-Hexamethyl-3,3'-dinitro-1,1'-biphenyl
- IUPAC
- 1,3,5-trimethyl-2-nitro-4-(2,4,6-trimethyl-3-nitrophenyl)benzene
Names & synonyms
2,2',4,4',6,6'-Hexamethyl-3,3'-dinitro-1,1'-biphenylDTXSID9012211334164-40-32,2a(2),4,4a(2),6,6a(2)-Hexamethyl-3,3a(2)-dinitro-1,1a(2)-biphenyl
Database identifiers
- CAS
4164-40-3- PubChem CID
- 15212001
- DTXSID
DTXSID901221133
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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