| CAS Number | 1165935-97-6 |
| Catalog Number | AG01DV0Q |
| Chemical Name | 2-[3-Chloro-4-(Trifluoromethyl)Phenyl]-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane |
| IUPAC Name | 2-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)8-5-6-9(10(15)7-8)13(16,17)18/h5-7H,1-4H3 |
| InChI Key | NMSGFQRKMAIWHH-UHFFFAOYSA-N |
| MDL Number | MFCD16996252 |
| Molecular Formula | C13H15BClF3O2 |
| Molecular Weight | 306.5162 |
| SMILES | ClC=1C=C(C=CC1C(F)(F)F)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1165935-97-6,
2-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MB20315,
1,3,2-DIOXABOROLANE, 2-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-,
2-(3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.516g/mol |
| Monoisotopic Mass | 306.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number