| CAS Number | 1315350-04-9 |
| Catalog Number | AG01EHJ5 |
| Chemical Name | 2-Amino-5-cyanophenylboronic acid pinacol ester |
| IUPAC Name | 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-15)5-6-11(10)16/h5-7H,16H2,1-4H3 |
| InChI Key | VRJYXVCVZGMIGS-UHFFFAOYSA-N |
| MDL Number | MFCD12025487 |
| Molecular Formula | C13H17BN2O2 |
| Molecular Weight | 244.0973 |
| SMILES | NC1=C(C=C(C=C1)C#N)B1OC(C)(C)C(C)(C)O1 |
| Synonyms | 1315350-04-9,
2-Amino-5-cyanophenylboronic acid pinacol ester,
4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4-aminobenzonitrile,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.101g/mol |
| Monoisotopic Mass | 244.138g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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