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166964-31-4 | 2-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
CAS No: 166964-31-4 Catalog No: AG001X2S MDL No:MFCD00052283
Product Description
Catalog Number:
AG001X2S
Chemical Name:
2-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
CAS Number:
166964-31-4
Molecular Formula:
C9H6ClF3N2O2S2
Molecular Weight:
330.7343
MDL Number:
MFCD00052283
IUPAC Name:
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3
InChI Key:
BWVNHXIGDZASCP-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(F)(F)F)c1ccc(s1)S(=O)(=O)Cl
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.951g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.724g/mol
Monoisotopic Mass:
329.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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