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88149-88-6 | Thiophene, 5-bromo-3-(4-fluorophenyl)-2-[4-(methylthio)phenyl]-
CAS No: 88149-88-6 Catalog No: AG004ECO MDL No:
Product Description
Catalog Number:
AG004ECO
Chemical Name:
Thiophene, 5-bromo-3-(4-fluorophenyl)-2-[4-(methylthio)phenyl]-
CAS Number:
88149-88-6
Molecular Formula:
C17H12BrFS2
Molecular Weight:
379.3096
IUPAC Name:
5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)thiophene
InChI:
InChI=1S/C17H12BrFS2/c1-20-14-8-4-12(5-9-14)17-15(10-16(18)21-17)11-2-6-13(19)7-3-11/h2-10H,1H3
InChI Key:
JCAIQOLCAZBSBC-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sc(cc1c1ccc(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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