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88149-92-2 | Thiophene, 5-chloro-3-(4-fluorophenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS No: 88149-92-2 Catalog No: AG004ECL MDL No:
Product Description
Catalog Number:
AG004ECL
Chemical Name:
Thiophene, 5-chloro-3-(4-fluorophenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS Number:
88149-92-2
Molecular Formula:
C17H12ClFO2S2
Molecular Weight:
366.8574
IUPAC Name:
5-chloro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)thiophene
InChI:
InChI=1S/C17H12ClFO2S2/c1-23(20,21)14-8-4-12(5-9-14)17-15(10-16(18)22-17)11-2-6-13(19)7-3-11/h2-10H,1H3
InChI Key:
BWGWSIOHYMORND-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(sc1c1ccc(cc1)S(=O)(=O)C)Cl
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.995g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.849g/mol
Monoisotopic Mass:
365.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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