| CAS Number | 1220696-48-9 |
| Catalog Number | AG00HGMA |
| Chemical Name | 2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-8-14(11-5-6-11)12(9-13)10-18/h7-9,11H,5-6H2,1-4H3 |
| InChI Key | ZNBNBIZVDMQDBB-UHFFFAOYSA-N |
| MDL Number | MFCD18383770 |
| Molecular Formula | C16H20BNO2 |
| Molecular Weight | 269.1465 |
| SMILES | C1(CC1)C1=C(C#N)C=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
1220696-48-9,
SCHEMBL2427133,
AKOS015946949,
ZINC202369600,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.151g/mol |
| Monoisotopic Mass | 269.159g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Lot Number