| CAS Number | 1402238-27-0 |
| Catalog Number | AG001C66(AGN-PC-0WAA89) |
| Chemical Name | 4-Chloro-2-methylquinoline-6-boronic acid |
| IUPAC Name | (4-chloro-2-methylquinolin-6-yl)boronic acid |
| InChI | InChI=1S/C10H9BClNO2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5,14-15H,1H3 |
| InChI Key | CGWKHIBVGITMJN-UHFFFAOYSA-N |
| MDL Number | MFCD20441829 |
| Molecular Formula | C10H9BClNO2 |
| Molecular Weight | 221.4480 |
| SMILES | Cc1cc(Cl)c2c(n1)ccc(c2)B(O)O |
| Synonyms | 4-Chloro-2-methylquinoline-6-boronic acid,
1402238-27-0,
C10H9BClNO2,
MFCD20441829,
AKOS025293775,
ZINC169955477,
OR360975,
V3038,
B-9506,
Boronic acid, B-(4-chloro-2-methyl-6-quinolinyl)-,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.447g/mol |
| Monoisotopic Mass | 221.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number