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1005613-94-4 | 1H-Pyrazole-4-sulfonyl chloride, 1,5-dimethyl-
CAS No: 1005613-94-4 Catalog No: AG0002C8 MDL No:MFCD04968668
Product Description
Catalog Number:
AG0002C8
Chemical Name:
1H-Pyrazole-4-sulfonyl chloride, 1,5-dimethyl-
CAS Number:
1005613-94-4
Molecular Formula:
C5H7ClN2O2S
Molecular Weight:
194.6393
MDL Number:
MFCD04968668
IUPAC Name:
1,5-dimethylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-7-8(4)2/h3H,1-2H3
InChI Key:
UYNDJYIYDFTXCG-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C)S(=O)(=O)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.633g/mol
Monoisotopic Mass:
193.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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