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88398-93-0 | 5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS No: 88398-93-0 Catalog No: AG004L8S MDL No:MFCD00052536
Product Description
Catalog Number:
AG004L8S
Chemical Name:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
88398-93-0
Molecular Formula:
C5H6Cl2N2O2S
Molecular Weight:
229.0843
MDL Number:
MFCD00052536
IUPAC Name:
5-chloro-1,3-dimethylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C5H6Cl2N2O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3
InChI Key:
HWGVUNSKAPCFNF-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)Cl)Cl)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.075g/mol
Monoisotopic Mass:
227.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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