| CAS Number | 864759-67-1 |
| Catalog Number | AG008G2H(AGN-PC-01LQVV) |
| Chemical Name | 3-METHYL-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID |
| IUPAC Name | [3-methyl-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H8BF3O2/c1-5-4-6(9(13)14)2-3-7(5)8(10,11)12/h2-4,13-14H,1H3 |
| InChI Key | WYIPXMTWQBAPEE-UHFFFAOYSA-N |
| MDL Number | MFCD08706260 |
| Molecular Formula | C8H8BF3O2 |
| Molecular Weight | 203.9541 |
| SMILES | B(c1ccc(c(c1)C)C(F)(F)F)(O)O |
| Synonyms | 864759-67-1,
(3-Methyl-4-(trifluoromethyl)phenyl)boronic acid,
3-Methyl-4-trifluoromethyl-phenylboronic acid,
3-methyl-4-(trifluoromethyl)phenylboronic acid,
AK136029,
3-methyl-4-trifluoromethylphenylboronic acid,
[3-methyl-4-(trifluoromethyl)phenyl]boronic acid,
Boronic acid,B-[3-methyl-4-(trifluoromethyl)phenyl]-,
CTK5F6829,
DTXSID70590201,
MFCD08706260,
AKOS015969254,
ZINC169807580,
AS06560,
CM10531,
DS-5270,
FCH1389981,
FS005010,
AX8168821,
FT-0769475,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.955g/mol |
| Monoisotopic Mass | 204.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number