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206362-76-7 | Thiophene, 3,3,4-trichloro-4-fluorotetrahydro-, 1,1-dioxide
CAS No: 206362-76-7 Catalog No: AG002IGK MDL No:
Product Description
Catalog Number:
AG002IGK
Chemical Name:
Thiophene, 3,3,4-trichloro-4-fluorotetrahydro-, 1,1-dioxide
CAS Number:
206362-76-7
Molecular Formula:
C4H4Cl3FO2S
Molecular Weight:
241.4958
IUPAC Name:
3,3,4-trichloro-4-fluorothiolane 1,1-dioxide
InChI:
InChI=1S/C4H4Cl3FO2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2
InChI Key:
LJEIIIWAHVEMKR-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC(C(C1)(F)Cl)(Cl)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.898g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.482g/mol
Monoisotopic Mass:
239.898g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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