| CAS Number | 1151512-24-1 |
| Catalog Number | AG019D7F(AGN-PC-0WBD7J) |
| Chemical Name | Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C6H7ClN2O4S/c1-9-5(14(7,11)12)4(3-8-9)6(10)13-2/h3H,1-2H3 |
| InChI Key | JJVDDLLUYKYWSI-UHFFFAOYSA-N |
| MDL Number | MFCD18262379 |
| Molecular Formula | C6H7ClN2O4S |
| Molecular Weight | 238.6488 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)N(C)N=C1)=O |
| Synonyms | 1151512-24-1,
Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-4-carboxylate,
SCHEMBL9528826,
MFCD18262379,
SBB073623,
AKOS005169552,
ZINC100804952,
MCULE-8814146028,
methyl 5-(chlorosulfonyl)-1-methylpyrazole-4-carboxylate,
methyl 5-chlorosulfonyl-1-methyl-pyrazole-4-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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number