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Home > Fluorides > 1006441-36-6
1006441-36-6 | 1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1006441-36-6 Catalog No: AG0002JU MDL No:MFCD08689729
Product Description
Catalog Number:
AG0002JU
Chemical Name:
1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1006441-36-6
Molecular Formula:
C9H5ClF3N3O2S
Molecular Weight:
311.6681
MDL Number:
MFCD08689729
IUPAC Name:
1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C9H5ClF3N3O2S/c10-19(17,18)7-4-15-16(5-7)8-2-1-6(3-14-8)9(11,12)13/h1-5H
InChI Key:
ZACLAYCACGRQPN-UHFFFAOYSA-N
SMILES:
FC(c1ccc(nc1)n1ncc(c1)S(=O)(=O)Cl)(F)F
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.663g/mol
Monoisotopic Mass:
310.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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