| CAS Number | 1183992-83-7 |
| Catalog Number | AG01ABVT(AGN-PC-0WO3LU) |
| Chemical Name | 1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-(cyclopropylmethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H13ClN2O2S/c1-6-9(15(10,13)14)7(2)12(11-6)5-8-3-4-8/h8H,3-5H2,1-2H3 |
| InChI Key | HDSFNXIOMAMBQV-UHFFFAOYSA-N |
| MDL Number | MFCD12804987 |
| Molecular Formula | C9H13ClN2O2S |
| Molecular Weight | 248.7297 |
| SMILES | CC1C(S(Cl)(=O)=O)=C(C)N(CC2CC2)N=1 |
| Synonyms | 1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride,
1183992-83-7,
AKOS010134350,
ZINC100486853,
NE36139,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.725g/mol |
| Monoisotopic Mass | 248.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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