| CAS Number | 2096330-29-7 |
| Catalog Number | AG01EHLL |
| Chemical Name | 2,3-Difluoro-5-methoxyphenylboronic acid, pinacol ester |
| IUPAC Name | 2-(2,3-difluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-6-8(17-5)7-10(15)11(9)16/h6-7H,1-5H3 |
| InChI Key | BJZHENCMSDHLGT-UHFFFAOYSA-N |
| MDL Number | MFCD19237208 |
| Molecular Formula | C13H17BF2O3 |
| Molecular Weight | 270.0801 |
| SMILES | COC1=CC(B2OC(C)(C)C(C)(C)O2)=C(F)C(F)=C1 |
| Synonyms | 2096330-29-7,
2,3-Difluoro-5-methoxyphenylboronic acid, pinacol ester,
2-(2,3-Difluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD19237208,
ZINC169951819,
(2,3-Difluoro-5-isopropoxyphenyl)boronic acid,
1960405-52-0,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.083g/mol |
| Monoisotopic Mass | 270.124g/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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