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Home > Fluorides > 100558-27-8
100558-27-8 | 1H-Imidazole, 2-(4-fluorophenyl)-5-(3-thienyl)-
CAS No: 100558-27-8 Catalog No: AG0002BR MDL No:
Product Description
Catalog Number:
AG0002BR
Chemical Name:
1H-Imidazole, 2-(4-fluorophenyl)-5-(3-thienyl)-
CAS Number:
100558-27-8
Molecular Formula:
C13H9FN2S
Molecular Weight:
244.2874
IUPAC Name:
2-(4-fluorophenyl)-5-thiophen-3-yl-1H-imidazole
InChI:
InChI=1S/C13H9FN2S/c14-11-3-1-9(2-4-11)13-15-7-12(16-13)10-5-6-17-8-10/h1-8H,(H,15,16)
InChI Key:
GKKQCJFIKZGFKC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ncc([nH]1)c1cscc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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