| CAS Number | 736991-86-9 |
| Catalog Number | AG00ICFK(AGN-PC-0WRA44) |
| Chemical Name | 2-(Morpholin-4-yl)-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one |
| IUPAC Name | 2-morpholin-4-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
| InChI | InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)15-7-5-14(6-8-15)16(21)13-20-9-11-22-12-10-20/h5-8H,9-13H2,1-4H3 |
| InChI Key | FCJBFRFWVNDUQF-UHFFFAOYSA-N |
| MDL Number | MFCD24039696 |
| Molecular Formula | C18H26BNO4 |
| Molecular Weight | 331.2143 |
| SMILES | CC1(OB(C2=CC=C(C(CN3CCOCC3)=O)C=C2)OC1(C)C)C |
| Synonyms | 2-(Morpholin-4-yl)-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one,
736991-86-9,
SCHEMBL6222177,
ZINC170006449,
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| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.195489g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.2g/mol |
| Monoisotopic Mass | 331.195489g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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