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88149-89-7 | Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-
CAS No: 88149-89-7 Catalog No: AG004ECN MDL No:
Product Description
Catalog Number:
AG004ECN
Chemical Name:
Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-
CAS Number:
88149-89-7
Molecular Formula:
C17H12BrFS2
Molecular Weight:
379.3096
IUPAC Name:
5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene
InChI:
InChI=1S/C17H12BrFS2/c1-20-14-8-4-11(5-9-14)15-10-16(18)21-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChI Key:
OCKUQULPJDJEKT-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cc(sc1c1ccc(cc1)F)Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.955g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.305g/mol
Monoisotopic Mass:
377.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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