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88398-40-7 | 1H-Pyrazole-4-sulfonyl chloride, 5-methoxy-1,3-dimethyl-
CAS No: 88398-40-7 Catalog No: AG004LHC MDL No:
Product Description
Catalog Number:
AG004LHC
Chemical Name:
1H-Pyrazole-4-sulfonyl chloride, 5-methoxy-1,3-dimethyl-
CAS Number:
88398-40-7
Molecular Formula:
C6H9ClN2O3S
Molecular Weight:
224.6653
IUPAC Name:
5-methoxy-1,3-dimethylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C6H9ClN2O3S/c1-4-5(13(7,10)11)6(12-3)9(2)8-4/h1-3H3
InChI Key:
RLUBLVWDJBRYKM-UHFFFAOYSA-N
SMILES:
COc1n(C)nc(c1S(=O)(=O)Cl)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.659g/mol
Monoisotopic Mass:
224.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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