| CAS Number | 1421275-66-2 |
| Catalog Number | AG01EHXQ |
| Chemical Name | 2,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole |
| IUPAC Name | 2,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrole |
| InChI | InChI=1S/C18H24BNO2/c1-13-7-8-14(2)20(13)16-11-9-15(10-12-16)19-21-17(3,4)18(5,6)22-19/h7-12H,1-6H3 |
| InChI Key | HIYQSACBEYONIN-UHFFFAOYSA-N |
| MDL Number | MFCD31916438 |
| Molecular Formula | C18H24BNO2 |
| Molecular Weight | 297.1997 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(N3C(C)=CC=C3C)C=C2)O1 |
| Synonyms | 1421275-66-2,
SCHEMBL15986832,
AS-55461,
2,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole,
4,4,5,5-Tetramethyl-2-(4-(2,5-dimethylpyrrol-1-yl)phenyl)-1,3,2-dioxaborolane,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.205g/mol |
| Monoisotopic Mass | 297.19g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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