| CAS Number | 2096334-35-7 |
| Catalog Number | AG01EHG4 |
| Chemical Name | 3-Cyclopropylmethoxy-5-trifluoromethylphenylboronic acid, pinacol ester |
| IUPAC Name | 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C17H22BF3O3/c1-15(2)16(3,4)24-18(23-15)13-7-12(17(19,20)21)8-14(9-13)22-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3 |
| InChI Key | YXEALWMHMYIPSN-UHFFFAOYSA-N |
| MDL Number | MFCD18434456 |
| Molecular Formula | C17H22BF3O3 |
| Molecular Weight | 342.1610 |
| SMILES | FC(C1=CC(OCC2CC2)=CC(B3OC(C)(C)C(C)(C)O3)=C1)(F)F |
| Synonyms | 3-Cyclopropylmethoxy-5-trifluoromethylphenylboronic acid, pinacol ester,
2096334-35-7,
2-(3-(Cyclopropylmethoxy)-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18434456,
AKOS027375537,
ZINC169936565,
A-3445,
N/A,
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| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.165g/mol |
| Monoisotopic Mass | 342.161g/mol |
| Rotatable Bond Count | 4 |
| 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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