| CAS Number | 941594-62-3 |
| Catalog Number | AG01A12N |
| Chemical Name | 2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C14H18BNO2/c1-10-7-6-8-12(11(10)9-16)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3 |
| InChI Key | NGBAWIFIBXOMMB-UHFFFAOYSA-N |
| MDL Number | MFCD18729909 |
| Molecular Formula | C14H18BNO2 |
| Molecular Weight | 243.1092 |
| SMILES | CC1=C(C#N)C(B2OC(C)(C)C(C)(C)O2)=CC=C1 |
| Synonyms | 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
941594-62-3,
SCHEMBL648182,
NGBAWIFIBXOMMB-UHFFFAOYSA-N,
ZINC169981204,
FCH2748449,
NE38434,
EN300-111932,
2-methyl-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.113g/mol |
| Monoisotopic Mass | 243.143g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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