| CAS Number | 2096338-83-7 |
| Catalog Number | AG01EHII |
| Chemical Name | 1-Cyclopropyl-2,5-dimethylpyrrole-4-boronic acid, pinacol ester |
| IUPAC Name | 1-cyclopropyl-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole |
| InChI | InChI=1S/C15H24BNO2/c1-10-9-13(11(2)17(10)12-7-8-12)16-18-14(3,4)15(5,6)19-16/h9,12H,7-8H2,1-6H3 |
| InChI Key | AEEMYOMKWXADOP-UHFFFAOYSA-N |
| MDL Number | MFCD22205815 |
| Molecular Formula | C15H24BNO2 |
| Molecular Weight | 261.1676 |
| SMILES | CC1(C)OB(OC1(C)C)c1cc(n(c1C)C1CC1)C |
| Synonyms | 1-Cyclopropyl-2,5-dimethylpyrrole-4-boronic acid, pinacol ester,
2096338-83-7,
1-Cyclopropyl-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole,
MFCD22205815,
ZINC169978508,
B-9748,
N/A,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.172g/mol |
| Monoisotopic Mass | 261.19g/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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