| CAS Number | 2096332-61-3 |
| Catalog Number | AG01EHAX(AGN-PC-3H45GC) |
| Chemical Name | 2,3-Difluoro-4-(trifluoromethyl)benzeneboronic acid |
| IUPAC Name | [2,3-difluoro-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BF5O2/c9-5-3(7(11,12)13)1-2-4(6(5)10)8(14)15/h1-2,14-15H |
| InChI Key | KFZQEXGUUYWITP-UHFFFAOYSA-N |
| MDL Number | MFCD14892600 |
| Molecular Formula | C7H4BF5O2 |
| Molecular Weight | 225.9085 |
| SMILES | OB(c1ccc(c(c1F)F)C(F)(F)F)O |
| Synonyms | 2,3-Difluoro-4-(trifluoromethyl)benzeneboronic acid,
2096332-61-3,
(2,3-Difluoro-4-(trifluoromethyl)phenyl)boronic acid,
ZX-AP010324,
MFCD14892600,
PC6952,
4-Borono-2,3-difluorobenzotrifluoride,
ZINC169794715,
Y2208,
A-3305,
B-8759,
2,3-Difluoro-4-(trifluoromethyl)benzeneboronic acid, AldrichCPR,
C7H4BF5O2,
N/A,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.909g/mol |
| Monoisotopic Mass | 226.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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