Basic information
- CAS
34875-98-4- Standard SMILES
COc1ccccc1N.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
AIMVWCGMHCOYKA-UHFFFAOYSA-N- Molecular formula
- C13H12N4O7
- Average molar mass
- 336.26 g/mol
- Monoisotopic mass
- 336.07059873
Names & identifiers
- Preferred name
- 2-Methoxyaniline; 1,3,5-trinitrobenzene
- IUPAC
- 2-methoxyaniline;1,3,5-trinitrobenzene
Names & synonyms
34875-98-42-methoxyaniline; 1,3,5-trinitrobenzeneNSC408003DTXSID90324929NSC-4080032-Methoxyaniline--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
34875-98-4- PubChem CID
- 348607
- DTXSID
DTXSID90324929
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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