| CAS Number | 1072945-81-3 |
| Catalog Number | AG003D1U(AGN-PC-0WA3VD) |
| Chemical Name | 1-(6-Chloropyrimidin-4-yl)pyrazole-4-boronic acid |
| IUPAC Name | [1-(6-chloropyrimidin-4-yl)pyrazol-4-yl]boronic acid |
| InChI | InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H |
| InChI Key | FINXKFQNFLSJBL-UHFFFAOYSA-N |
| MDL Number | MFCD09972097 |
| Molecular Formula | C7H6BClN4O2 |
| Molecular Weight | 224.4121 |
| SMILES | Clc1ncnc(c1)n1ncc(c1)B(O)O |
| Synonyms | 1072945-81-3,
1-(6-Chloropyrimidin-4-yl)pyrazole-4-boronic acid,
(1-(6-Chloropyrimidin-4-yl)-1H-pyrazol-4-yl)boronic acid,
[1-(6-Chloropyrimidin-4-Yl)-1h-Pyrazol-4-Yl]boronic Acid,
C7H6BClN4O2,
ACMC-2098qn,
SCHEMBL15333707,
CTK4A5206,
DTXSID40674401,
ANW-15597,
AKOS015850270,
ZINC169903823,
RTR-001529,
OR360993,
AX8255898,
TR-001529,
Z7010,
I03-822,
A-4520,
N95,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.411g/mol |
| Monoisotopic Mass | 224.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number