| CAS Number | 1309980-29-7 |
| Catalog Number | AG009WV7(AGN-PC-0WA6YI) |
| Chemical Name | 2-Methyl-4-trifluoromethoxyphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H18BF3O3/c1-9-8-10(19-14(16,17)18)6-7-11(9)15-20-12(2,3)13(4,5)21-15/h6-8H,1-5H3 |
| InChI Key | QLTJUMXQHFQRIV-UHFFFAOYSA-N |
| MDL Number | MFCD11867879 |
| Molecular Formula | C14H18BF3O3 |
| Molecular Weight | 302.0971 |
| SMILES | FC(F)(F)OC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1 |
| Synonyms | 1309980-29-7,
2-METHYL-4-TRIFLUOROMETHOXYPHENYLBORONIC ACID, PINACOL ESTER,
4,4,5,5-Tetramethyl-2-(2-methyl-4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane,
ZXBA000602,
MFCD11867879,
AKOS015960326,
ZINC169902939,
PC412527,
2-Methyl-4-trifluoromethoxyphenylboronic acid pinacol ester, AldrichCPR,
2-Methyl-4-trifluoromethoxyphenylboronic acid pinacol ester,
2-Methyl-4-trifluoromethoxyphenylboronic acid,pinacol ester,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.1g/mol |
| Monoisotopic Mass | 302.13g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number