Basic information
- CAS
68540-89-6- Standard SMILES
CCOc1cc([N+](=O)[O-])c(OCC)cc1C(=O)c1ccccc1- InChIKey
AHZAMSMMRIEQLK-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- Methanone, (2,5-diethoxy-4-nitrophenyl)phenyl-
- IUPAC
- (2,5-diethoxy-4-nitrophenyl)-phenylmethanone
- English name
- (2,5-diethoxy-4-nitrophenyl) phenyl ketone
- Molecular formula
- C17H17NO5
- Molecular weight
- 315.32058
Names & synonyms
2,5-Diethoxy-4-nitrobenzophenoneMethanone, (2,5-diethoxy-4-nitrophenyl)phenyl-EINECS 271-325-568540-89-6DTXSID9071634RefChem:811626DTXCID9046104(2,5-Diethoxy-4-nitrophenyl) phenyl ketone(2,5-DIETHOXY-4-NITROPHENYL)(PHENYL)METHANONEAHZAMSMMRIEQLK-UHFFFAOYSA-NNS00036644(2,5-Diethoxy-4-nitrophenyl)phenylmethanone
Database identifiers
- CAS
68540-89-6- PubChem CID
- 110503
- DTXSID
DTXSID9071634- EC Number
- 271-325-5
- Nikkaji
- J309.170H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- EPA Substance Registry System
- Methanone, (2,5-diethoxy-4-nitrophenyl)phenyl- (68540-89-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, (2,5-diethoxy-4-nitrophenyl)phenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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