| CAS Number | 2096337-04-9 |
| Catalog Number | AG01EHNC |
| Chemical Name | 3-Chloro-2-(cyclopentyloxy)pyridine-4-boronic acid |
| IUPAC Name | (3-chloro-2-cyclopentyloxypyridin-4-yl)boronic acid |
| InChI | InChI=1S/C10H13BClNO3/c12-9-8(11(14)15)5-6-13-10(9)16-7-3-1-2-4-7/h5-7,14-15H,1-4H2 |
| InChI Key | KVXRYHFVOOMDCA-UHFFFAOYSA-N |
| MDL Number | MFCD21609520 |
| Molecular Formula | C10H13BClNO3 |
| Molecular Weight | 241.4791 |
| SMILES | OB(C1=C(Cl)C(OC2CCCC2)=NC=C1)O |
| Synonyms | 3-Chloro-2-(cyclopentyloxy)pyridine-4-boronic acid,
2096337-04-9,
(3-Chloro-2-(cyclopentyloxy)pyridin-4-yl)boronic acid,
MFCD21609520,
AKOS027368566,
ZINC169964718,
Y2508,
B-9393,
EN300-212778,
C10H13BClNO3,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.478g/mol |
| Monoisotopic Mass | 241.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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