Basic information
- Standard SMILES
COc1c([N+](=O)[O-])cc(C2(C)CC2)cc1[N+](=O)[O-]- InChIKey
USNMEXZFIQEGFX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-5-(1-methyl-cyclopropyl)-1,3-dinitro-benzene
- IUPAC
- 2-methoxy-5-(1-methylcyclopropyl)-1,3-dinitrobenzene
Names & synonyms
2-methoxy-5-(1-methyl-cyclopropyl)-1,3-dinitro-benzeneSCHEMBL4505661USNMEXZFIQEGFX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 17973071
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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