| CAS Number | 885226-07-3 |
| Catalog Number | AG003APQ(AGN-PC-0VM3XX) |
| Chemical Name | 2-(2,5-Dimethyl-1h-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine |
| IUPAC Name | 2-(2,5-dimethylpyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C17H23BN2O2/c1-12-7-8-13(2)20(12)15-10-9-14(11-19-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3 |
| InChI Key | UWYAQNLLLBRAHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13191378 |
| Molecular Formula | C17H23BN2O2 |
| Molecular Weight | 298.1877 |
| SMILES | CC=1N(C(=CC1)C)C1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 885226-07-3,
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
SCHEMBL1927105,
MFCD13191378,
ZINC203680674,
AM87368,
AS-55257,
2-(2,5-Dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.193g/mol |
| Monoisotopic Mass | 298.185g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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