Butyrophenone, 4,4,4-trinitro-
Basic information
- CAS
15473-23-1- Standard SMILES
O=C(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1ccccc1- InChIKey
DJJWSSZEXBDPHW-UHFFFAOYSA-N- Molecular formula
- C10H9N3O7
- Average molar mass
- 283.19 g/mol
- Monoisotopic mass
- 283.04404963
Names & identifiers
- Preferred name
- Butyrophenone, 4,4,4-trinitro-
- IUPAC
- 4,4,4-trinitro-1-phenylbutan-1-one
Names & synonyms
4,4,4-TrinitrobutyrophenoneBUTYROPHENONE, 4,4,4-TRINITRO-15473-23-1XX3S1A0N2PNSC 312452BRN 2003965UNII-XX3S1A0N2PNSC-312452DTXSID801657074-07-00-00712 (Beilstein Handbook Reference)RefChem:122374DTXCID3088198
Show more names
4,4,4-trinitro-1-phenylbutan-1-oneNSC3124523,3,3-trinitropropyl phenyl ketone
Database identifiers
- CAS
15473-23-1- PubChem CID
- 27312
- DTXSID
DTXSID80165707- UNII
- XX3S1A0N2P
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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