Basic information
- CAS
6945-82-0- Standard SMILES
COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JLRFNOSMNHTJLI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.06953611
Names & identifiers
- Preferred name
- 1-(2,4-Dinitrophenoxy)-2-methoxy-4-methylbenzene
- IUPAC
- 1-(2,4-dinitrophenoxy)-2-methoxy-4-methylbenzene
Names & synonyms
6945-82-01-(2,4-dinitrophenoxy)-2-methoxy-4-methylbenzeneNSC52579DTXSID70287806NSC-52579
Database identifiers
- CAS
6945-82-0- PubChem CID
- 243227
- DTXSID
DTXSID70287806- Nikkaji
- J2.209.066F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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