2-(2-Methylphenoxy)-1,3,5-trinitrobenzene
Basic information
- CAS
6641-62-9- Standard SMILES
Cc1ccccc1Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
LQFAQCBTYURLSV-UHFFFAOYSA-N- Molecular formula
- C13H9N3O7
- Average molar mass
- 319.23 g/mol
- Monoisotopic mass
- 319.04404963
Names & identifiers
- Preferred name
- 2-(2-Methylphenoxy)-1,3,5-trinitrobenzene
- IUPAC
- 2-(2-methylphenoxy)-1,3,5-trinitrobenzene
Names & synonyms
6641-62-92-(2-methylphenoxy)-1,3,5-trinitrobenzeneNSC47659DTXSID10286797NSC-47659
Database identifiers
- CAS
6641-62-9- PubChem CID
- 240865
- DTXSID
DTXSID10286797
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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