| CAS Number | 1401990-62-2 |
| Catalog Number | AG009WU8(AGN-PC-0WA8EK) |
| Chemical Name | 3-Chloro-2-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [3-chloro-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BClF3O2/c9-5-3-1-2-4(8(13)14)6(5)7(10,11)12/h1-3,13-14H |
| InChI Key | ICRQHMYYORUKKC-UHFFFAOYSA-N |
| MDL Number | MFCD14155642 |
| Molecular Formula | C7H5BClF3O2 |
| Molecular Weight | 224.3726 |
| SMILES | OB(C1=CC=CC(Cl)=C1C(F)(F)F)O |
| Synonyms | 3-Chloro-2-(trifluoromethyl)phenylboronic acid,
1401990-62-2,
(3-Chloro-2-(trifluoromethyl)phenyl)boronic acid,
[3-chloro-2-(trifluoromethyl)phenyl]boronic acid,
SCHEMBL4975343,
ICRQHMYYORUKKC-UHFFFAOYSA-N,
MFCD14155642,
AKOS025293779,
ZINC169905997,
V3033,
C7H5BClF3O2,
N/A,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.37g/mol |
| Monoisotopic Mass | 224.002g/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