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Home Sulfos 4-(chloromethyl)-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole hydrochloride

4-(chloromethyl)-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole hydrochloride

CAS No.:
1803583-05-2
Catalog Number:
AG01BHPD
Molecular Formula:
C9H16Cl2N2O2S
Molecular Weight:
287.2065
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Product Description
Catalog Number:
AG01BHPD
Chemical Name:
4-(chloromethyl)-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole hydrochloride
CAS Number:
1803583-05-2
Molecular Formula:
C9H16Cl2N2O2S
Molecular Weight:
287.2065
MDL Number:
MFCD28145360
IUPAC Name:
4-(chloromethyl)-3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole;hydrochloride
InChI:
InChI=1S/C9H15ClN2O2S.ClH/c1-7-9(6-10)8(2)12(11-7)4-5-15(3,13)14;/h4-6H2,1-3H3;1H
InChI Key:
JXXGUOKLOQMHOC-UHFFFAOYSA-N
SMILES:
ClCc1c(C)nn(c1C)CCS(=O)(=O)C.Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.199g/mol
Monoisotopic Mass:
286.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties