Basic information
- CAS
301680-85-3- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(I)cc1- InChIKey
DEJMFURKEAUJHW-UHFFFAOYSA-N- Molecular formula
- C17H12ClIN2O2
- Average molar mass
- 438.6 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide
- IUPAC
- 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- English name
- 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide
- Molecular formula
- C17H12ClIN2O2
- Molecular weight
- 438.65
Names & synonyms
3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide301680-85-33-(2-chlorophenyl)-N-(4-iodophenyl)-5-methylisoxazole-4-carboxamideDEJMFURKEAUJHW-UHFFFAOYSA-NOprea1_414839Oprea1_683483STK042743AKOS0005334083-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-iodo-phenyl)-amideST50185767AG-690/11636067
Show more names
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-
[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-N-(4-iodophenyl)carboxamide3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide #
Database identifiers
- CAS
301680-85-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 471.6 · 471.6±45.0 °C(Predicted)
- Density
- 1.687 · 1.687±0.06 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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