Basic information
- CAS
20278-59-5- Standard SMILES
COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N- InChIKey
RAGDZFDTRGPPFN-UHFFFAOYSA-N- Molecular formula
- C7H7N3O5
- Average molar mass
- 213.15 g/mol
- Monoisotopic mass
- 213.03857033
Names & identifiers
- Preferred name
- 2-Methoxy-4,5-dinitroaniline
- IUPAC
- 2-methoxy-4,5-dinitroaniline
- English name
- 3,4-Dinitro-6-methoxyaniline
- Molecular formula
- C7H7N3O5
- Molecular weight
- 213.15
Names & synonyms
NSC6065322-methoxy-4,5-dinitroanilineBenzenamine, 2-methoxy-4,5-dinitro-20278-59-5NCIMech_0001692-methoxy-4,5-dinitro-anilineCHEMBL1989187SCHEMBL10020888DTXSID20326633CCG-35220NSC-606532NCI60_004669
Show more names
3,4-Dinitro-6-methoxyaniline
PD011772
Database identifiers
- CAS
20278-59-5- PubChem CID
- 354527
- DTXSID
DTXSID20326633- ChEMBL
CHEMBL1989187- Nikkaji
- J82.945E
Properties
Computed structural properties
- XLogP
- 0.9
- 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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