| CAS Number | 1312794-10-7 |
| Catalog Number | AG00HSF1(AGN-PC-0WQZ6F) |
| Chemical Name | (6-Chloroquinolin-4-yl)boronic acid |
| IUPAC Name | (6-chloroquinolin-4-yl)boronic acid |
| InChI | InChI=1S/C9H7BClNO2/c11-6-1-2-9-7(5-6)8(10(13)14)3-4-12-9/h1-5,13-14H |
| InChI Key | WLGIDSVNUPMIFY-UHFFFAOYSA-N |
| MDL Number | MFCD27935579 |
| Molecular Formula | C9H7BClNO2 |
| Molecular Weight | 207.4214 |
| SMILES | OB(C1=C2C(C=CC(=C2)Cl)=NC=C1)O |
| Synonyms | (6-Chloroquinolin-4-yl)boronic acid,
1312794-10-7,
Boronic acid, B-(6-chloro-4-quinolinyl)-,
ZINC170001145,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.42g/mol |
| Monoisotopic Mass | 207.026g/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
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