2098132-20-6
Product Name:
1H-Pyrazole-5-carboxylic acid, 4-iodo-1-(1-methylethyl)-3-(trifluoromethyl)-, methyl ester
Formula:
C9H10F3IN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 362.09 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 361.97391 g/mol |
| Monoisotopic Mass | 361.97391 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 299 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |