| CAS Number | 1178919-63-5 |
| Catalog Number | AG01AFWU(AGN-PC-0WOCX8) |
| Chemical Name | 1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2 |
| InChI Key | MWJUSOZDDOOTPT-UHFFFAOYSA-N |
| MDL Number | MFCD12804984 |
| Molecular Formula | C7H9ClN2O2S |
| Molecular Weight | 220.6766 |
| SMILES | ClS(C1=CN(CC2CC2)N=C1)(=O)=O |
| Synonyms | 1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonyl chloride,
1178919-63-5,
MFCD12804984,
AKOS010134481,
ZINC100502691,
NE41225,
AS-48166,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.671g/mol |
| Monoisotopic Mass | 220.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number