| CAS Number | 1010689-64-1 |
| Catalog Number | AG01EL1N |
| Chemical Name | 2-(2,2-difluoro-1-phenylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-(2,2-difluoro-1-phenylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C15H19BF2O2/c1-12(2)13(3,4)20-16(19-12)14(10-15(14,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3 |
| InChI Key | KMFYVPWNSHRSNQ-UHFFFAOYSA-N |
| MDL Number | MFCD31628998 |
| Molecular Formula | C15H19BF2O2 |
| Molecular Weight | 280.118 |
| SMILES | CC1(C(C)(C)OB(C2(C3=CC=CC=C3)C(F)(F)C2)O1)C |
| Synonyms | SCHEMBL13518882,
2-(1-Phenyl-2,2-difluorocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2-(2,2-difluoro-1-phenylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
1010689-64-1,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.122g/mol |
| Monoisotopic Mass | 280.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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