| CAS Number | 2098425-93-3 |
| Catalog Number | AG01FONI(AGN-PC-3H5O26) |
| Chemical Name | 2-ethoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C15H20BNO3/c1-6-18-13-9-12(8-7-11(13)10-17)16-19-14(2,3)15(4,5)20-16/h7-9H,6H2,1-5H3 |
| InChI Key | YVCZZGVNVNANMV-UHFFFAOYSA-N |
| MDL Number | MFCD28015460 |
| Molecular Formula | C15H20BNO3 |
| Molecular Weight | 273.1352 |
| SMILES | N#CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OCC |
| Synonyms | 2-Ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
2-ethoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
2098425-93-3,
AMTB889,
MFCD28015460,
AKOS024255629,
ZINC170018668,
AS-2931,
KS-000022K8,
C15H20BNO3,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.139g/mol |
| Monoisotopic Mass | 273.154g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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