| CAS Number | 2096339-99-8 |
| Catalog Number | AG01EHFV |
| Chemical Name | 2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-fluoro-5-hydroxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BF4O3/c9-6-4(7(10,11)12)1-3(13)2-5(6)8(14)15/h1-2,13-15H |
| InChI Key | WAKPESZATTZWEQ-UHFFFAOYSA-N |
| MDL Number | MFCD20441803 |
| Molecular Formula | C7H5BF4O3 |
| Molecular Weight | 223.9174 |
| SMILES | OB(C1=CC(O)=CC(C(F)(F)F)=C1F)O |
| Synonyms | 2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid,
2096339-99-8,
(2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenyl)boronic acid,
MFCD20441803,
ZINC169955329,
Y2343,
B-9552,
C7H5BF4O3,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.918g/mol |
| Monoisotopic Mass | 224.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number