100991-87-5
Product Name:
1,3-BUTANEDIOL, 1-(2-FURYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-
Formula:
C9H8F6O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 278.15 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.03776309 g/mol |
| Monoisotopic Mass | 278.03776309 g/mol |
| Topological Polar Surface Area | 53.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 273 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |