Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(OC)c1C- InChIKey
UMUQBWJWFZLCPC-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 2,6-Dimethoxy-3-nitrotoluene
- IUPAC
- 1,3-dimethoxy-2-methyl-4-nitrobenzene
Names & synonyms
2,6-dimethoxy-3-nitrotolueneSCHEMBL6973058SCHEMBL8802940UMUQBWJWFZLCPC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12166350
- Nikkaji
- J2.289.326B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
1 records
Compound notes
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