| CAS Number | 1793003-76-5 |
| Catalog Number | AG00HZXZ |
| Chemical Name | B-[3-(Cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid |
| IUPAC Name | [3-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C11H12BF3O4/c13-11(14,15)19-9-4-3-8(12(16)17)5-10(9)18-6-7-1-2-7/h3-5,7,16-17H,1-2,6H2 |
| InChI Key | URWSCFHZPDJHPY-UHFFFAOYSA-N |
| MDL Number | MFCD21332937 |
| Molecular Formula | C11H12BF3O4 |
| Molecular Weight | 276.0168 |
| SMILES | B(c1ccc(c(c1)OCC2CC2)OC(F)(F)F)(O)O |
| Synonyms | 3-(Cyclopropylmethoxy)-4-(trifluoromethoxy)phenylboronic acid,
1793003-76-5,
C11H12BF3O4,
MFCD21332937,
AKOS026673564,
ZINC169964700,
Y2407,
B-9649,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.018g/mol |
| Monoisotopic Mass | 276.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number