| CAS Number | 943911-67-9 |
| Catalog Number | AG00II4P(AGN-PC-0WOKTL) |
| Chemical Name | 3-(N-ETHYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER |
| IUPAC Name | N-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C15H22BNO3/c1-6-17-13(18)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3,(H,17,18) |
| InChI Key | BXWWIHDUPXJEHQ-UHFFFAOYSA-N |
| MDL Number | MFCD22493890 |
| Molecular Formula | C15H22BNO3 |
| Molecular Weight | 275.1511 |
| SMILES | C(C)NC(C1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | 943911-67-9,
3-(N-Ethylaminocarbonyl)phenylboronic acid pinacol ester,
N-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
SCHEMBL3322095,
AKOS025293589,
ZINC170017051,
FCH2889655,
OR361208,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.155g/mol |
| Monoisotopic Mass | 275.169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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