Basic information
- CAS
114168-47-7- Standard SMILES
COc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
SZBYMOUYGPKBTO-UHFFFAOYSA-N- Molecular formula
- C7H7N3O5
- Average molar mass
- 213.15 g/mol
- Monoisotopic mass
- 213.03857033
Names & identifiers
- Preferred name
- 2-Methoxy-3,5-dinitroaniline
- IUPAC
- 2-methoxy-3,5-dinitroaniline
Names & synonyms
114168-47-72-Methoxy-3,5-dinitroanilineDTXSID30549199
Database identifiers
- CAS
114168-47-7- PubChem CID
- 13779003
- DTXSID
DTXSID30549199
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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