Basic information
- CAS
7498-52-4- Standard SMILES
CC(=O)c1c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C- InChIKey
COUIEMPOPBDWSE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.07462149
Names & identifiers
- Preferred name
- 1-(2,4,6-Trimethyl-3,5-dinitro-phenyl)ethanone
- IUPAC
- 1-(2,4,6-trimethyl-3,5-dinitrophenyl)ethanone
- English name
- 1-(2,4,6-trimethyl-3,5-dinitro-phenyl)ethanone
- Molecular formula
- C11H12N2O5
- Molecular weight
- 0
Names & synonyms
7498-52-41-(2,4,6-TRIMETHYL-3,5-DINITRO-PHENYL)ETHANONE1-(2,4,6-Trimethyl-3,5-dinitrophenyl)ethan-1-one1-(2,4,6-trimethyl-3,5-dinitrophenyl)ethanoneNSC407550DTXSID60324693NSC-407550
Database identifiers
- CAS
7498-52-4- PubChem CID
- 348290
- DTXSID
DTXSID60324693
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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