| CAS Number | 2246547-20-4 |
| Catalog Number | AG01FPV4(AGN-PC-3H5P64) |
| Chemical Name | 3-chloro-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | 3-chloro-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C19H21BClNO3/c1-18(2)19(3,4)25-20(24-18)14-8-6-10-16(12-14)22-17(23)13-7-5-9-15(21)11-13/h5-12H,1-4H3,(H,22,23) |
| InChI Key | ZCDRRLYXLPQPBW-UHFFFAOYSA-N |
| MDL Number | MFCD32206448 |
| Molecular Formula | C19H21BClNO3 |
| Molecular Weight | 357.6389 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC=CC(Cl)=C3 |
| Synonyms | AS-73231,
3-chloro-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
2246547-20-4,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.130301g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.6g/mol |
| Monoisotopic Mass | 357.130301g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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