Basic information
- CAS
760192-95-8- Standard SMILES
CCOC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
SHCZCLVDUFEGFY-UHFFFAOYSA-N- Molecular formula
- C16H13NO5
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.07937252
Names & identifiers
- Preferred name
- 4-Ethoxycarbonyl-4'-nitrobenzophenone
- IUPAC
- ethyl 4-(4-nitrobenzoyl)benzoate
- English name
- 4-ETHOXYCARBONYL-4'-NITROBENZOPHENONE
- Molecular formula
- C16H13NO5
- Molecular weight
- 299.28
Names & synonyms
4-ETHOXYCARBONYL-4'-NITROBENZOPHENONE760192-95-8Ethyl 4-(4-nitrobenzoyl)benzoateMFCD02260409Benzoic acid, 4-(4-nitrobenzoyl)-, ethyl esterDTXSID90347335SHCZCLVDUFEGFY-UHFFFAOYSA-NEthyl 4-(4-nitrobenzoyl)benzoate #AKOS016018365F201659
Database identifiers
- CAS
760192-95-8- PubChem CID
- 620265
- DTXSID
DTXSID90347335
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 474 · 474.0±30.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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