| CAS Number | 2032371-79-0 |
| Catalog Number | AG00I3TL(AGN-PC-0WR007) |
| Chemical Name | 4-Chloro-2-ethoxycarbonylphenylboronic acid pinacol ester |
| IUPAC Name | ethyl 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BClO4/c1-6-19-13(18)11-9-10(17)7-8-12(11)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3 |
| InChI Key | VELRTBIZGRFHMS-UHFFFAOYSA-N |
| MDL Number | MFCD29764418 |
| Molecular Formula | C15H20BClO4 |
| Molecular Weight | 310.5809 |
| SMILES | O=C(OCC)C1=CC(Cl)=CC=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 2032371-79-0,
4-Chloro-2-ethoxycarbonylphenylboronic acid pinacol ester,
Ethyl 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
AKOS027376133,
ZINC390825201,
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| Complexity | 383 |
| 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 | 4 |
| 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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