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Home > Fluorides > 858117-38-1
858117-38-1 | 1H-Pyrrolo[2,3-b]pyridine, 4-(3-fluorophenyl)-3-(2-thienylthio)-
CAS No: 858117-38-1 Catalog No: AG004XTU MDL No:
Product Description
Catalog Number:
AG004XTU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-(3-fluorophenyl)-3-(2-thienylthio)-
CAS Number:
858117-38-1
Molecular Formula:
C17H11FN2S2
Molecular Weight:
326.4110
IUPAC Name:
4-(3-fluorophenyl)-3-thiophen-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C17H11FN2S2/c18-12-4-1-3-11(9-12)13-6-7-19-17-16(13)14(10-20-17)22-15-5-2-8-21-15/h1-10H,(H,19,20)
InChI Key:
VAKGKQXSLUDPAZ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccnc2c1c(c[nH]2)Sc1cccs1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.035g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.407g/mol
Monoisotopic Mass:
326.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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