Benzamide, 4-nitro-N-(3-(2-thienyl)-5-isoxazolyl)-
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Basic information
- CAS
37852-57-6- Standard SMILES
O=C(Nc1cc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1- InChIKey
KAQNTNAYHXCMIP-UHFFFAOYSA-N- Molecular formula
- C14H9N3O4S
- Average molar mass
- 315.31 g/mol
- Monoisotopic mass
- 315.03137695
Names & identifiers
- Preferred name
- Benzamide, 4-nitro-N-(3-(2-thienyl)-5-isoxazolyl)-
- IUPAC
- 4-nitro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
- English name
- Benzamide, 4-nitro-N-(3-(2-thienyl)-5-isoxazolyl)-
- Molecular formula
- C14H9N3O4S
- Molecular weight
- 315.3
Names & synonyms
37852-57-64-Nitro-N-(3-(2-thienyl)-5-isoxazolyl)benzamideBenzamide, 4-nitro-N-(3-(2-thienyl)-5-isoxazolyl)-RefChem:321769DTXSID309588834-Nitro-N-[3-(thiophen-2-yl)-1,2-oxazol-5-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
37852-57-6- PubChem CID
- 216893
- DTXSID
DTXSID30958883
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 470.9 · 470.9±45.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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