| CAS Number | 1434073-43-4 |
| Catalog Number | AG01A12M(AGN-PC-0WOM64) |
| Chemical Name | 3-Methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C14H18BNO2/c1-10-7-6-8-11(9-16)12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3 |
| InChI Key | VDFGWPNYVDEVEO-UHFFFAOYSA-N |
| MDL Number | MFCD18729900 |
| Molecular Formula | C14H18BNO2 |
| Molecular Weight | 243.1092 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2C)C#N |
| Synonyms | 3-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
1434073-43-4,
SCHEMBL12365297,
AKOS028114996,
ZINC169981201,
FCH2748446,
NE34750,
EN300-111929,
|
| 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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