| CAS Number | 434898-99-4 |
| Catalog Number | AG01FPUV(AGN-PC-0RRSPF) |
| Chemical Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-Propenamide |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide |
| InChI | InChI=1S/C15H20BNO3/c1-6-13(18)17-12-9-7-11(8-10-12)16-19-14(2,3)15(4,5)20-16/h6-10H,1H2,2-5H3,(H,17,18) |
| InChI Key | VCRUFOUHDAQOIF-UHFFFAOYSA-N |
| MDL Number | MFCD22493951 |
| Molecular Formula | C15H20BNO3 |
| Molecular Weight | 273.1352 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc(cc1)NC(=O)C=C |
| Synonyms | SCHEMBL4420488,
AS-72768,
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide,
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]acrylamide,
434898-99-4,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.153624g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.14g/mol |
| Monoisotopic Mass | 273.153624g/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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