| CAS Number | 1185265-61-5 |
| Catalog Number | AG00HELF(AGN-PC-0WRA45) |
| Chemical Name | 1-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-8-13(11-12)18-10-6-9-14(18)19/h5,7-8,11H,6,9-10H2,1-4H3 |
| InChI Key | UFJIPDFDUJOTRK-UHFFFAOYSA-N |
| MDL Number | MFCD22573165 |
| Molecular Formula | C16H22BNO3 |
| Molecular Weight | 287.1618 |
| SMILES | O=C1CCCN1c1cccc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1185265-61-5,
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one,
SCHEMBL1636075,
UFJIPDFDUJOTRK-UHFFFAOYSA-N,
ZINC170006416,
1-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one,
1-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-pyrrolidin-2-one,
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| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.166g/mol |
| Monoisotopic Mass | 287.169g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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