Basic information
- CAS
7152-68-3- Standard SMILES
O=C(c1ccccc1)C1OC1c1ccccc1[N+](=O)[O-]- InChIKey
YYDCQFLIOWAXNZ-UHFFFAOYSA-N- Molecular formula
- C15H11NO4
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.06880783
Names & identifiers
- Preferred name
- 2,3-Epoxy-3-(o-nitrophenyl)propiophenone
- IUPAC
- [3-(2-nitrophenyl)oxiran-2-yl]-phenylmethanone
- English name
- 2-Benzoyl-3-(2-nitrophenyl)oxirane
- Molecular formula
- C15H11NO4
- Molecular weight
- 269.25
Names & synonyms
7152-68-32,3-Epoxy-3-(o-nitrophenyl)propiophenonePropiophenone, 2,3-epoxy-3-(o-nitrophenyl)-RefChem:1059505[3-(2-nitrophenyl)oxiran-2-yl](phenyl)methanone2-Benzoyl-3-(2-nitrophenyl)oxirane[3-(2-nitrophenyl)oxiran-2-yl]-phenylmethanoneMethanone, [3-(2-nitrophenyl)oxiranyl]phenyl-MFCD01695208Methanone, (3-(2-nitrophenyl)oxiranyl)phenyl-WLN: T3OTJ BVR& CR BNWNSC 41597
Show more names
[3-(2-nitrophenyl)-2-oxiranyl]-phenylmethanoneMethanone, [3-(2-nitrophenyl)-2-oxiranyl]phenyl-Methanone, (3-(2-nitrophenyl)oxiranyl)phenyl- (9CI)
Propiophenone,3-epoxy-3-(o-nitrophenyl)-3-(2-nitrophenyl)oxiran-2-yl phenyl ketoneNSC 247982-Benzoyl-3-(2-nitrophenyl)-oxiraneSCHEMBL3994076DTXSID70992004YYDCQFLIOWAXNZ-UHFFFAOYSA-NALBB-024856
Database identifiers
- CAS
7152-68-3- PubChem CID
- 95229
- DTXSID
DTXSID70992004
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 433.162 · 433.162±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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