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865360-44-7 | Cyclopropanecarboxylic acid, 1-(4-benzo[b]thien-3-yl-3-fluorophenyl)-
CAS No: 865360-44-7 Catalog No: AG004PS9 MDL No:
Product Description
Catalog Number:
AG004PS9
Chemical Name:
Cyclopropanecarboxylic acid, 1-(4-benzo[b]thien-3-yl-3-fluorophenyl)-
CAS Number:
865360-44-7
Molecular Formula:
C18H13FO2S
Molecular Weight:
312.3580
IUPAC Name:
1-[4-(1-benzothiophen-3-yl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)
InChI Key:
OHASMRIPZSZDPE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccc(c(c1)F)c1csc2c1cccc2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.358g/mol
Monoisotopic Mass:
312.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. | Journal of medicinal chemistry 20050908 |
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