Basic information
- CAS
19404-15-0- Standard SMILES
COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
HNSFWPZUDZKPKS-UHFFFAOYSA-N- Molecular formula
- C8H7N3O7
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 257.02839957
Names & identifiers
- Preferred name
- 2-Methoxy-4-methyl-1,3,5-trinitrobenzene
- IUPAC
- 2-methoxy-4-methyl-1,3,5-trinitrobenzene
Names & synonyms
19404-15-02-methoxy-4-methyl-1,3,5-trinitrobenzeneNSC99823DTXSID30295129NSC-99823
Database identifiers
- CAS
19404-15-0- PubChem CID
- 264649
- DTXSID
DTXSID30295129
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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