| CAS Number | 1004294-99-8 |
| Catalog Number | AG01BTYO |
| Chemical Name | 5-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidinone |
| IUPAC Name | 5-[4-(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)12-7-5-11(6-8-12)13-9-10-14(19)18-13/h5-8,13H,9-10H2,1-4H3,(H,18,19) |
| InChI Key | NEJCHNAOMQVWRR-UHFFFAOYSA-N |
| MDL Number | MFCD30189086 |
| Molecular Formula | C16H22BNO3 |
| Molecular Weight | 287.1618 |
| SMILES | O=C1NC(C2=CC=C(C=C2)B3OC(C)(C)C(O3)(C)C)CC1 |
| Synonyms | 5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one,
SCHEMBL2036180,
NEJCHNAOMQVWRR-UHFFFAOYSA-N,
AX8330404,
5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one,
1004294-99-8,
N/A,
|
| Complexity | 400 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.166g/mol |
| Monoisotopic Mass | 287.169g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number