| CAS Number | 1254118-35-8 |
| Catalog Number | AG009YFY(AGN-PC-0WCRJJ) |
| Chemical Name | (3-(Difluoromethyl)-4-fluorophenyl)boronic acid |
| IUPAC Name | [3-(difluoromethyl)-4-fluorophenyl]boronic acid |
| InChI | InChI=1S/C7H6BF3O2/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,7,12-13H |
| InChI Key | SZVBSEHYKANIRO-UHFFFAOYSA-N |
| MDL Number | MFCD18383466 |
| Molecular Formula | C7H6BF3O2 |
| Molecular Weight | 189.9275 |
| SMILES | FC(C=1C=C(C=CC1F)B(O)O)F |
| Synonyms | (3-(difluoromethyl)-4-fluorophenyl)boronic acid,
1254118-35-8,
SCHEMBL13065321,
MFCD18383466,
ZINC224854595,
AM86451,
FCH1174992,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.928g/mol |
| Monoisotopic Mass | 190.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number