| CAS Number | 1809900-40-0 |
| Catalog Number | AG00I0AR |
| Chemical Name | 3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester |
| IUPAC Name | methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C14H17BCl2O4/c1-13(2)14(3,4)21-15(20-13)8-6-9(12(18)19-5)11(17)10(16)7-8/h6-7H,1-5H3 |
| InChI Key | KMIDYWRKSICSLU-UHFFFAOYSA-N |
| MDL Number | MFCD18783184 |
| Molecular Formula | C14H17BCl2O4 |
| Molecular Weight | 330.9994 |
| SMILES | COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1809900-40-0,
3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester,
methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD18783184,
ZINC169936737,
A-3311,
B-9536,
N/A,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.996g/mol |
| Monoisotopic Mass | 330.06g/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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