| CAS Number | 1299471-28-5 |
| Catalog Number | AG018S8H(AGN-PC-0WBPTC) |
| Chemical Name | ethyl 5-(chlorosulfonyl)-3-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 3-chlorosulfonyl-5-methyl-1H-pyrazole-4-carboxylate |
| InChI | InChI=1S/C7H9ClN2O4S/c1-3-14-7(11)5-4(2)9-10-6(5)15(8,12)13/h3H2,1-2H3,(H,9,10) |
| InChI Key | YBVUJZKYBUCSOY-UHFFFAOYSA-N |
| MDL Number | MFCD12197220 |
| Molecular Formula | C7H9ClN2O4S |
| Molecular Weight | 252.6754 |
| SMILES | CCOC(C1=C(S(Cl)(=O)=O)NN=C1C)=O |
| Synonyms | ethyl 5-(chlorosulfonyl)-3-methyl-1H-pyrazole-4-carboxylate,
1299471-28-5,
AC1Q33MF,
SCHEMBL7808722,
CTK6F5239,
CTK8F9623,
BBL000409,
HTS004763,
HTS028314,
MFCD12197220,
STL072921,
ZINC81113220,
AKOS005655776,
MCULE-2097711014,
BS-10045,
H5495,
EN300-45515,
F8889-0964,
ethyl 3-(chlorosulfonyl)-5-methyl-1H-pyrazole-4-carboxylate,
C7H9ClN2O4S,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.669g/mol |
| Monoisotopic Mass | 251.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number