1,2,5-Trimethyl-3,4-dinitrobenzene
Basic information
- CAS
71261-13-7- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C- InChIKey
QKPVCVOSLXWZPB-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 1,2,5-Trimethyl-3,4-dinitrobenzene
- IUPAC
- 1,2,5-trimethyl-3,4-dinitrobenzene
Names & synonyms
1,2,5-trimethyl-3,4-dinitrobenzene71261-13-73,4-Dinitro-2,5,6-trimethyl benzeneNSC271927SCHEMBL2581020DTXSID10313537NSC-271927
Database identifiers
- CAS
71261-13-7- PubChem CID
- 321407
- DTXSID
DTXSID10313537
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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