| CAS Number | 1030832-38-2 |
| Catalog Number | AG00906U(AGN-PC-0WR00G) |
| Chemical Name | 5-Fluoro-2-Methylbenzeneboronic acid pinacol ester |
| IUPAC Name | 2-(5-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H18BFO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3 |
| InChI Key | ZTKSYTPCVNDCIE-UHFFFAOYSA-N |
| MDL Number | MFCD18729893 |
| Molecular Formula | C13H18BFO2 |
| Molecular Weight | 236.0902 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(F)=CC=C2C)O1 |
| Synonyms | 1030832-38-2,
2-(5-Fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
5-Fluoro-2-methylphenylboronic acid pinacol ester,
ZTKSYTPCVNDCIE-UHFFFAOYSA-N,
AKOS017550056,
ZINC169747307,
3-fluoro-6-methylphenylboronic acid pinacol ester,
5-Fluoro-2-Methylbenzeneboronic acid pinacol ester, 97%,
1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4-fluorobenzene,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.138388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.09g/mol |
| Monoisotopic Mass | 236.138388g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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