| CAS Number | 1019918-74-1 |
| Catalog Number | AG01FRIA(AGN-PC-3H5PN0) |
| Chemical Name | 4-Methyl-N-(1-methylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | 4-methyl-N-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C17H26BNO3/c1-11(2)19-15(20)13-9-8-12(3)14(10-13)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3,(H,19,20) |
| InChI Key | QNPKZLXIMZJPOM-UHFFFAOYSA-N |
| MDL Number | MFCD22494193 |
| Molecular Formula | C17H26BNO3 |
| Molecular Weight | 303.2042 |
| SMILES | O=C(NC(C)C)C1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 1019918-74-1,
QNPKZLXIMZJPOM-UHFFFAOYSA-N,
ZINC222967458,
N-isopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
AS-73945,
DA-16281,
FT-0752786,
4-methyl-N-(propan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
A1-25257,
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| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.200574g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.2g/mol |
| Monoisotopic Mass | 303.200574g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number