| CAS Number | 1350635-52-7 |
| Catalog Number | AG00HTVC(AGN-PC-0WQZXN) |
| Chemical Name | 5-Amino-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 5-amino-2-(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)11-6-5-10(16)7-9(11)8-15/h5-7H,16H2,1-4H3 |
| InChI Key | IMUBORUZDYTZMI-UHFFFAOYSA-N |
| MDL Number | MFCD24039483 |
| Molecular Formula | C13H17BN2O2 |
| Molecular Weight | 244.0973 |
| SMILES | N#Cc1cc(N)ccc1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 5-Amino-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
1350635-52-7,
ZINC170003104,
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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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