| CAS Number | 1072945-69-7 |
| Catalog Number | AG007ESF(AGN-PC-0WAABE) |
| Chemical Name | 4-Chloropyridine-3-boronic acid , HCl |
| IUPAC Name | (4-chloropyridin-3-yl)boronic acid;hydrochloride |
| InChI | InChI=1S/C5H5BClNO2.ClH/c7-5-1-2-8-3-4(5)6(9)10;/h1-3,9-10H;1H |
| InChI Key | AYQLYGOQLKWDHE-UHFFFAOYSA-N |
| MDL Number | MFCD09972093 |
| Molecular Formula | C5H6BCl2NO2 |
| Molecular Weight | 193.8236 |
| SMILES | OB(c1cnccc1Cl)O.Cl |
| Synonyms | 1072945-69-7,
(4-Chloropyridin-3-yl)boronic acid hydrochloride,
4-Chloropyridine-3-boronic acid , HCl,
4-Chloropyridine-3-boronic acid HCl,
C5H6BCl2NO2,
CTK8B3990,
DTXSID50674412,
4-Chloropyridine-3-boronic acid,hcl,
ANW-43609,
AKOS015892353,
RTR-001520,
AX8236010,
TR-001520,
X1531,
4-Chloropyridine-3-boronic acid hydrochloride,
A-4513,
I02-5259,
(4-Chloropyridin-3-yl)boronic acid--hydrogen chloride (1/1),
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.818g/mol |
| Monoisotopic Mass | 192.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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