| CAS Number | 1890325-99-1 |
| Catalog Number | AG01DW2U |
| Chemical Name | 4-chloro-1H-indazole-5-carboxylic acid |
| IUPAC Name | 4-chloro-1H-indazole-5-carboxylic acid |
| InChI | InChI=1S/C8H5ClN2O2/c9-7-4(8(12)13)1-2-6-5(7)3-10-11-6/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | XSQUXNABXVRJHD-UHFFFAOYSA-N |
| MDL Number | MFCD31666667 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | OC(C1=C(Cl)C2=C(NN=C2)C=C1)=O |
| Synonyms | 4-chloro-1H-indazole-5-carboxylic acid,
1890325-99-1,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number