| CAS Number | 1257651-09-4 |
| Catalog Number | AG009IV9(AGN-PC-0WAY31) |
| Chemical Name | 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile |
| IUPAC Name | 4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile |
| InChI | InChI=1S/C12H11BN2O4/c1-15-7-11(16)18-13(19-12(17)8-15)10-4-2-9(6-14)3-5-10/h2-5H,7-8H2,1H3 |
| InChI Key | GSZJATWIBFKRFE-UHFFFAOYSA-N |
| MDL Number | MFCD11215231 |
| Molecular Formula | C12H11BN2O4 |
| Molecular Weight | 258.0377 |
| SMILES | CN1CC(OB(C2=CC=C(C#N)C=C2)OC(C1)=O)=O |
| Synonyms | 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile,
1257651-09-4,
4-Cyanophenylboronic acid MIDA ester,
AMTB818,
KS-000022IJ,
MFCD11215231,
AKOS022168235,
ZINC169810257,
AS-2861,
OR310489,
4-Cyanophenylboronic acid MIDA ester, 97%,
1884492-36-7,
C12H11BN2O4,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.04g/mol |
| Monoisotopic Mass | 258.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number