| CAS Number | 1885096-92-3 |
| Catalog Number | AG00I2R1(AGN-PC-0WP1SR) |
| Chemical Name | 4-Chloro-5-fluoro-2-methylphenylboronic acid pinacol ester |
| IUPAC Name | 2-(4-chloro-5-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BClFO2/c1-8-6-10(15)11(16)7-9(8)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3 |
| InChI Key | YMXVRVSIOHLRFJ-UHFFFAOYSA-N |
| MDL Number | MFCD24039589 |
| Molecular Formula | C13H17BClFO2 |
| Molecular Weight | 270.5353 |
| SMILES | ClC1=CC(=C(C=C1F)B1OC(C)(C)C(C)(C)O1)C |
| Synonyms | 1885096-92-3,
4-Chloro-5-fluoro-2-methylphenylboronic acid pinacol ester,
2-(4-Chloro-5-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
ZINC261494477,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.535g/mol |
| Monoisotopic Mass | 270.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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