| CAS Number | 1688649-04-8 |
| Catalog Number | AG01B84N |
| Chemical Name | 2-(3-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-(3-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H18BClO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3 |
| InChI Key | GMCOKTFYYVXBTH-UHFFFAOYSA-N |
| MDL Number | MFCD18729894 |
| Molecular Formula | C13H18BClO2 |
| Molecular Weight | 252.5448 |
| SMILES | ClC=1C(=C(C=CC1)B1OC(C(O1)(C)C)(C)C)C |
| Synonyms | 1688649-04-8,
3-Chloro-2-methylphenyboronic acid pinacol ester,
2-(3-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
GMCOKTFYYVXBTH-UHFFFAOYSA-N,
MFCD18729894,
AKOS017550057,
ZINC211405851,
2-(3-chloro-2-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.545g/mol |
| Monoisotopic Mass | 252.109g/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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