| CAS Number | 1887240-36-9 |
| Catalog Number | AG00I2RB(AGN-PC-0WQZ6S) |
| Chemical Name | Boronic acid, B-[2,6-dichloro-4-(trifluoromethyl)phenyl]- |
| IUPAC Name | [2,6-dichloro-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BCl2F3O2/c9-4-1-3(7(11,12)13)2-5(10)6(4)8(14)15/h1-2,14-15H |
| InChI Key | UWHPSRANHQGNHM-UHFFFAOYSA-N |
| MDL Number | MFCD27935761 |
| Molecular Formula | C7H4BCl2F3O2 |
| Molecular Weight | 258.8177 |
| SMILES | B(O)(O)c1c(Cl)cc(cc1Cl)C(F)(F)F |
| Synonyms | 2,6-Dichloro-4-(trifluoromethyl)phenylboronic acid,
1887240-36-9,
MFCD27935761,
AKOS032962822,
ZINC170001913,
(2,6-dichloro-4-(trifluoromethyl)phenyl)boronic acid,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.812g/mol |
| Monoisotopic Mass | 257.963g/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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