| CAS Number | 2036084-49-6 |
| Catalog Number | AG00I3U2(AGN-PC-0WOHBF) |
| Chemical Name | 2-Chloro-6-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [2-chloro-6-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BClF3O3/c9-4-2-1-3-5(6(4)8(13)14)15-7(10,11)12/h1-3,13-14H |
| InChI Key | WUZKMKCNEQHESS-UHFFFAOYSA-N |
| MDL Number | MFCD18393880 |
| Molecular Formula | C7H5BClF3O3 |
| Molecular Weight | 240.3720 |
| SMILES | ClC1=C(C(=CC=C1)OC(F)(F)F)B(O)O |
| Synonyms | (2-Chloro-6-(trifluoromethoxy)phenyl)boronic acid,
2-CHLORO-6-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID,
2036084-49-6,
KM3783,
ZINC169978275,
Y2311,
C7H5BClF3O3,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.369g/mol |
| Monoisotopic Mass | 239.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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