| CAS Number | 1072945-91-5 |
| Catalog Number | AG003CU3(AGN-PC-0WA3J0) |
| Chemical Name | 1-(2-Chlorophenyl)pyrazole-4-boronic acid |
| IUPAC Name | [1-(2-chlorophenyl)pyrazol-4-yl]boronic acid |
| InChI | InChI=1S/C9H8BClN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12-13)10(14)15/h1-6,14-15H |
| InChI Key | MVLVNKOFJKGBIG-UHFFFAOYSA-N |
| MDL Number | MFCD09972101 |
| Molecular Formula | C9H8BClN2O2 |
| Molecular Weight | 222.4360 |
| SMILES | Clc1ccccc1n1ncc(c1)B(O)O |
| Synonyms | 1-(2-Chlorophenyl)pyrazole-4-boronic acid,
1072945-91-5,
(1-(2-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid,
[1-(2-Chlorophenyl)-1H-pyrazol-4-yl]boronic acid,
ACMC-2098qv,
SCHEMBL2556004,
CTK4A5214,
DTXSID70674393,
ANW-15605,
AKOS015850056,
ZINC169903812,
RTR-001537,
OR360986,
TR-001537,
Z7016,
A-4527,
I04-2531,
C9H8BClN2O2,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.435g/mol |
| Monoisotopic Mass | 222.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number