| CAS Number | 1793003-54-9 |
| Catalog Number | AG00HZXS(AGN-PC-0WOC52) |
| Chemical Name | 3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C10H12BF3O4/c1-6(2)17-9-5-7(11(15)16)3-4-8(9)18-10(12,13)14/h3-6,15-16H,1-2H3 |
| InChI Key | GMSQFZIIBMNSRQ-UHFFFAOYSA-N |
| MDL Number | MFCD21332936 |
| Molecular Formula | C10H12BF3O4 |
| Molecular Weight | 264.0061 |
| SMILES | CC(Oc1cc(ccc1OC(F)(F)F)B(O)O)C |
| Synonyms | 3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid,
1793003-54-9,
MFCD21332936,
AKOS026673560,
ZINC169964697,
Y2587,
B-9648,
C10H12BF3O4,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.007g/mol |
| Monoisotopic Mass | 264.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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