| CAS Number | 1643467-84-8 |
| Catalog Number | AG00HZ3C(AGN-PC-0WRA76) |
| Chemical Name | 3-Chloro-4,5-difluorophenylboronic acid |
| IUPAC Name | (3-chloro-4,5-difluorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H |
| InChI Key | SKVAJRYSVMMITI-UHFFFAOYSA-N |
| MDL Number | MFCD10697406 |
| Molecular Formula | C6H4BClF2O2 |
| Molecular Weight | 192.3556 |
| SMILES | B(c1cc(c(c(c1)Cl)F)F)(O)O |
| Synonyms | 3-Chloro-4,5-difluorophenylboronic acid,
(3-chloro-4,5-difluorophenyl)boronic acid,
1643467-84-8,
MFCD10697406,
AKOS006305786,
ZINC169935182,
AB59527,
Y2530,
A-3490,
C6H4BClF2O2,
Boronic Acid, B-(3-chloro-4,5-difluorophenyl)-,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.353g/mol |
| Monoisotopic Mass | 191.996g/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
Lot Number