| CAS Number | 1245823-37-3 |
| Catalog Number | AG019GDO(AGN-PC-0WBD6E) |
| Chemical Name | methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C6H7ClN2O4S/c1-9-5(14(7,11)12)3-4(8-9)6(10)13-2/h3H,1-2H3 |
| InChI Key | UHTIJWIODPIPDC-UHFFFAOYSA-N |
| MDL Number | MFCD18262350 |
| Molecular Formula | C6H7ClN2O4S |
| Molecular Weight | 238.6488 |
| SMILES | COC(C1=NN(C)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-3-carboxylate,
1245823-37-3,
SBB073567,
AKOS005169505,
ZINC100804931,
MCULE-8617086033,
methyl 5-(chlorosulfonyl)-1-methylpyrazole-3-carboxylate,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.642g/mol |
| Monoisotopic Mass | 237.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number