Home Fluorides 1006441-36-6
1006441-36-6,MFCD08689729
Catalog No.:AA0002H2
1006441-36-6 | 1-[5-(Trifluoromethyl)-2-pyridinyl]-1h-pyrazole-4-sulfonoyl chloride
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100mg
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Technical Information
Catalog Number:
AA0002H2
Chemical Name:
1-[5-(Trifluoromethyl)-2-pyridinyl]-1h-pyrazole-4-sulfonoyl chloride
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
Computed 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  

Synonyms
 
1006441-36-6 
1-(5-(Trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride 
KS-00001Q2X 
ZX-AP000291 
ANW-55266 
PC7666 
SBB055037 
AKOS005072586 
ZINC100013984 
FA-0858 
RP16332 
ABA-9382540 
1-[5-(Trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-sulfonoyl chloride 
AX8201362 
TR-064724 
trifluoromethylpyridinylpyrazolesulfonoylchloride 
chloro{1-[5-(trifluoromethyl)(2-pyridyl)]pyrazol-4-yl}sulfone 
1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-sulfonyl chloride 
1H-Pyrazole-4-sulfonyl chloride, 1-[5-(trifluoromethyl)-2-pyridinyl]- 
1-[5-(Trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-sulfonoyl chloride, AldrichCPR 
1-(5-(Trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-sulfonylchloride 
MFCD08689729 
1-[5-(Trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-sulfonyl chloride 
J-503392 
1-[5-(Trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-sulphonyl chloride 
SCHEMBL3460258 
CTK7B6731 
DTXSID70594764 
Literature
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