| CAS Number | 2096338-72-4 |
| Catalog Number | AG01EHB1(AGN-PC-3H45G8) |
| Chemical Name | 4-(2,2-Dichloro-3,3-difluorocyclobutyl)phenylboronic acid |
| IUPAC Name | [4-(2,2-dichloro-3,3-difluorocyclobutyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H9BCl2F2O2/c12-10(13)8(5-9(10,14)15)6-1-3-7(4-2-6)11(16)17/h1-4,8,16-17H,5H2 |
| InChI Key | WWPQUVGSCMNRSV-UHFFFAOYSA-N |
| MDL Number | MFCD20529453 |
| Molecular Formula | C10H9BCl2F2O2 |
| Molecular Weight | 280.8911 |
| SMILES | OB(c1ccc(cc1)C1CC(C1(Cl)Cl)(F)F)O |
| Synonyms | 2096338-72-4,
4-(2,2-Dichloro-3,3-difluorocyclobutyl)phenylboronic acid,
[4-(2,2-dichloro-3,3-difluorocyclobutyl)phenyl]boronic acid,
(4-(2,2-Dichloro-3,3-difluorocyclobutyl)phenyl)boronic acid,
C10H9BCl2F2O2,
MFCD20529453,
Y2612,
B-9818,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.887g/mol |
| Monoisotopic Mass | 280.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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