| CAS Number | 1421252-92-7 |
| Catalog Number | AG009YTQ(AGN-PC-0WNGGM) |
| Chemical Name | 4-Chloro-3,5-dimethyl-1-tosyl-1H-indazole |
| IUPAC Name | 4-chloro-3,5-dimethyl-1-(4-methylphenyl)sulfonylindazole |
| InChI | InChI=1S/C16H15ClN2O2S/c1-10-4-7-13(8-5-10)22(20,21)19-14-9-6-11(2)16(17)15(14)12(3)18-19/h4-9H,1-3H3 |
| InChI Key | SAJGGRTWCRSPMW-UHFFFAOYSA-N |
| MDL Number | MFCD28403751 |
| Molecular Formula | C16H15ClN2O2S |
| Molecular Weight | 334.8205 |
| SMILES | ClC1=C2C(=NN(C2=CC=C1C)S(=O)(=O)C1=CC=C(C)C=C1)C |
| Synonyms | 4-chloro-3,5-dimethyl-1-tosyl-1H-indazole,
1421252-92-7,
SCHEMBL14663158,
SAJGGRTWCRSPMW-UHFFFAOYSA-N,
KS-00000TW6,
MFCD28403751,
AKOS030632838,
ZINC147001559,
CS-W000616,
AK549647,
DS-19510,
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| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.818g/mol |
| Monoisotopic Mass | 334.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number