| CAS Number | 1116093-68-5 |
| Catalog Number | AG00HC6A |
| Chemical Name | 5-Methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C14H18BNO2/c1-10-6-7-12(11(8-10)9-16)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3 |
| InChI Key | YPNXTWRHWZOBLW-UHFFFAOYSA-N |
| MDL Number | MFCD10698508 |
| Molecular Formula | C14H18BNO2 |
| Molecular Weight | 243.1092 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C)C#N |
| Synonyms | 5-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE,
1116093-68-5,
SCHEMBL1495731,
YPNXTWRHWZOBLW-UHFFFAOYSA-N,
ZINC170016180,
AB62260,
FCH2834924,
NE14832,
EN300-179657,
5-methyl-2-(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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number