85559-46-2
Product Name:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
Formula:
C9H5F3N2O2
Synonyms:
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid;TDBA
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COMPUTED DESCRIPTORS
| Molecular Weight | 230.14 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 230.03031189 g/mol |
| Monoisotopic Mass | 230.03031189 g/mol |
| Topological Polar Surface Area | 62 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 326 |
| 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 |