| CAS Number | 2096330-10-6 |
| Catalog Number | AG01EHJS |
| Chemical Name | 4-Chloro-3-(methoxycarbonyl)-5-methylphenylboronic acid, pinacol ester |
| IUPAC Name | methyl 2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BClO4/c1-9-7-10(8-11(12(9)17)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3 |
| InChI Key | ISLNWYBITMRHFV-UHFFFAOYSA-N |
| MDL Number | MFCD18914528 |
| Molecular Formula | C15H20BClO4 |
| Molecular Weight | 310.5809 |
| SMILES | O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C)=C1Cl |
| Synonyms | 4-Chloro-3-(methoxycarbonyl)-5-methylphenylboronic acid, pinacol ester,
2096330-10-6,
methyl 2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD18914528,
ZINC169951926,
A-2968,
N/A,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.581g/mol |
| Monoisotopic Mass | 310.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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