| CAS Number | 1352413-06-9 |
| Catalog Number | AG009WKU(AGN-PC-0WQWWA) |
| Chemical Name | Methyl 3-Cyano-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate |
| IUPAC Name | methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H18BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-10(9-17)6-11(8-12)13(18)19-5/h6-8H,1-5H3 |
| InChI Key | ZZJCILVEJIMZHG-UHFFFAOYSA-N |
| MDL Number | MFCD18373989 |
| Molecular Formula | C15H18BNO4 |
| Molecular Weight | 287.1187 |
| SMILES | O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C#N)=C1 |
| Synonyms | Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
1352413-06-9,
ACMC-209bzz,
C15H18BNO4,
SCHEMBL15956346,
CTK8B0338,
DTXSID70742723,
ANW-19821,
MFCD18373989,
AKOS025293825,
ZINC169965086,
OR361434,
TC-108566,
Z9902,
ZZJCILVEJIMZHG-UHFFFAOYSA-N,
B-9110,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.122g/mol |
| Monoisotopic Mass | 287.133g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number