Home Fluorides 1017779-75-7
1017779-75-7,MFCD09832391
Catalog No.:AA0005EG
1017779-75-7 | 2,3,6-Trifluorobenzenesulfonyl chloride
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Technical Information
Catalog Number:
AA0005EG
Chemical Name:
2,3,6-Trifluorobenzenesulfonyl chloride
CAS Number:
1017779-75-7
Molecular Formula:
C6H2ClF3O2S
Molecular Weight:
230.5921
MDL Number:
MFCD09832391
IUPAC Name:
2,3,6-trifluorobenzenesulfonyl chloride
InChI:
InChI=1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)2-1-3(8)5(6)10/h1-2H
InChI Key:
IFFKHMGJJCDTJL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1F)S(=O)(=O)Cl)F
Properties
Computed Properties
 
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.942g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.585g/mol
Monoisotopic Mass:
229.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
2,3,6-Trifluorobenzenesulfonyl chloride 
1017779-75-7 
MFCD09832391 
SBB097647 
STL555287 
chloro(2,3,6-trifluorophenyl)sulfone 
AKOS005258980 
ZINC100013136 
2,3,6-Trifluorophenylsulfonyl chloride 
PC49545 
TRA0021123 
2,3,6-Trifluorobenzenesulphonyl chloride 
2,3,6-Trifluorobenzene-1-sulfonyl chloride 
PS-10809 
TR-033817 
Benzenesulfonyl chloride, 2,3,6-trifluoro- 
FT-0682921 
Z-1440 
2,3,6-Trifluorobenzenesulfonyl chloride, AldrichCPR 
I01-14992 
C6H2ClF3O2S 
SCHEMBL3523738 
CTK4A0220 
DTXSID30624410 
ZX-AP002089 
7440AC 
BBL101491 
FCH925951 
Literature
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