| CAS Number | 1772622-44-2 |
| Catalog Number | AG00HZPL |
| Chemical Name | 2-Fluoro-5-methoxy-3-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H7BF4O3/c1-16-4-2-5(8(11,12)13)7(10)6(3-4)9(14)15/h2-3,14-15H,1H3 |
| InChI Key | KNRIYRLAYXUQGX-UHFFFAOYSA-N |
| MDL Number | MFCD20231436 |
| Molecular Formula | C8H7BF4O3 |
| Molecular Weight | 237.9440 |
| SMILES | OB(C1=CC(OC)=CC(C(F)(F)F)=C1F)O |
| Synonyms | 2-Fluoro-5-methoxy-3-(trifluoromethyl)phenylboronic acid,
1772622-44-2,
MFCD20231436,
ZINC169955174,
Y2344,
B-9392,
C8H7BF4O3,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.945g/mol |
| Monoisotopic Mass | 238.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number