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88149-86-4 | Thiophene, 3-(4-fluorophenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS No: 88149-86-4 Catalog No: AG004ECP MDL No:
Product Description
Catalog Number:
AG004ECP
Chemical Name:
Thiophene, 3-(4-fluorophenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS Number:
88149-86-4
Molecular Formula:
C17H13FO2S2
Molecular Weight:
332.4123
IUPAC Name:
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)thiophene
InChI:
InChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-16(10-11-21-17)12-2-6-14(18)7-3-12/h2-11H,1H3
InChI Key:
AFDMQCLJMGTNLE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ccsc1c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.407g/mol
Monoisotopic Mass:
332.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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