| CAS Number | 2096333-52-5 |
| Catalog Number | AG01EHHV |
| Chemical Name | 3-Chloro-2-ethoxypyridine-4-boronic acid |
| IUPAC Name | (3-chloro-2-ethoxypyridin-4-yl)boronic acid |
| InChI | InChI=1S/C7H9BClNO3/c1-2-13-7-6(9)5(8(11)12)3-4-10-7/h3-4,11-12H,2H2,1H3 |
| InChI Key | XKWNVKMBQHHEHS-UHFFFAOYSA-N |
| MDL Number | MFCD18914508 |
| Molecular Formula | C7H9BClNO3 |
| Molecular Weight | 201.4153 |
| SMILES | c1cnc(c(c1B(O)O)Cl)OCC |
| Synonyms | 3-Chloro-2-ethoxypyridine-4-boronic acid,
2096333-52-5,
(3-chloro-2-ethoxypyridin-4-yl)boronic acid,
MFCD18914508,
AKOS027361646,
ZINC169951663,
Y2516,
A-3017,
C7H9BClNO3,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.413g/mol |
| Monoisotopic Mass | 201.036g/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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