Basic information
- CAS
70862-29-2- Standard SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
QFHXXZWSRJRXBK-UHFFFAOYSA-N- Molecular formula
- C13H7N5O10
- Average molar mass
- 393.22 g/mol
- Monoisotopic mass
- 393.01929144
Names & identifiers
- Preferred name
- 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl
- IUPAC
- 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene
Names & synonyms
70862-29-2NSC4086273-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenylDTXSID70325095NSC-408627
Database identifiers
- CAS
70862-29-2- PubChem CID
- 349072
- DTXSID
DTXSID70325095
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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