| CAS Number | 2096334-27-7 |
| Catalog Number | AG01EHMU |
| Chemical Name | 1-Cyclopentyl-1H-pyrazole-5-boronic acid, pinacol ester |
| IUPAC Name | 1-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C14H23BN2O2/c1-13(2)14(3,4)19-15(18-13)12-9-10-16-17(12)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3 |
| InChI Key | IDSSRSBZJMSRGW-UHFFFAOYSA-N |
| MDL Number | MFCD21333042 |
| Molecular Formula | C14H23BN2O2 |
| Molecular Weight | 262.1556 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=NN2C3CCCC3)O1 |
| Synonyms | 1-Cyclopentyl-1H-pyrazole-5-boronic acid, pinacol ester,
2096334-27-7,
1-Cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
MFCD21333042,
AKOS027354912,
ZINC169965078,
1-Cyclopentyl-1H-pyrazole-5-boronic acid,
T6089,
B-9390,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.16g/mol |
| Monoisotopic Mass | 262.185g/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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