Basic information
- CAS
63989-84-4- Standard SMILES
C[NH3+].Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]- InChIKey
TXDNNUKYTGLQBE-UHFFFAOYSA-N- Molecular formula
- C8H11N3O5
- Average molar mass
- 229.19 g/mol
- Monoisotopic mass
- 229.06987046
Names & identifiers
- Preferred name
- o-Cresol, 4,6-dinitro-, methylamine (1:1)
- IUPAC
- methylazanium;2-methyl-4,6-dinitrophenolate
Names & synonyms
4,6-Dinitro-o-cresol methylamine (1:1)o-CRESOL, 4,6-DINITRO-, METHYLAMINE (1:1)63989-84-4DTXSID30213924RefChem:366398DTXCID60136415Methanaminium 2-methyl-4,6-dinitrophenolate
Database identifiers
- CAS
63989-84-4- PubChem CID
- 46158
- DTXSID
DTXSID30213924
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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