| CAS Number | 2096339-23-8 |
| Catalog Number | AG01EHN6 |
| Chemical Name | [2-chloro-4-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid |
| IUPAC Name | [2-chloro-4-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C13H13BClNO3/c1-9-5-12(15)11(14(17)18)6-13(9)19-8-10-3-2-4-16-7-10/h2-7,17-18H,8H2,1H3 |
| InChI Key | VCXPIUOLAHBTGX-UHFFFAOYSA-N |
| MDL Number | MFCD20441812 |
| Molecular Formula | C13H13BClNO3 |
| Molecular Weight | 277.5112 |
| SMILES | Cc1cc(Cl)c(cc1OCc1cccnc1)B(O)O |
| Synonyms | [2-chloro-4-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid,
2096339-23-8,
(2-Chloro-4-methyl-5-(pyridin-3-ylmethoxy)phenyl)boronic acid,
MFCD20441812,
ZINC169955358,
V9976,
B-9730,
C13H13BClNO3,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.511g/mol |
| Monoisotopic Mass | 277.068g/mol |
| Rotatable Bond Count | 4 |
| 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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