| CAS Number | 1803320-97-9 |
| Catalog Number | AG00I01A |
| Chemical Name | 3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester |
| IUPAC Name | 2-[3-chloro-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)8-5-9(15)7-10(6-8)19-13(16,17)18/h5-7H,1-4H3 |
| InChI Key | JOHLHDNQZYFLBR-UHFFFAOYSA-N |
| MDL Number | MFCD18756755 |
| Molecular Formula | C13H15BClF3O3 |
| Molecular Weight | 322.5156 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(OC(F)(F)F)=CC(Cl)=C2)O1 |
| Synonyms | 1803320-97-9,
3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester,
3-Chloro-5-(trifluoromethoxy)phenylboronic acid pinacol ester,
2-(3-Chloro-5-(trifluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18756755,
ZINC169978317,
AS-36758,
B-9565,
1-Chloro-5-(trifluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzene,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.515g/mol |
| Monoisotopic Mass | 322.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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