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Home > Fluorides > 145934-91-4
145934-91-4 | 1H-Pyrrolo[2,3-b]pyridine, 5-fluoro-2-methyl-3-(methylthio)-
CAS No: 145934-91-4 Catalog No: AG001DJ6 MDL No:
Product Description
Catalog Number:
AG001DJ6
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-fluoro-2-methyl-3-(methylthio)-
CAS Number:
145934-91-4
Molecular Formula:
C9H9FN2S
Molecular Weight:
196.2446
IUPAC Name:
5-fluoro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H9FN2S/c1-5-8(13-2)7-3-6(10)4-11-9(7)12-5/h3-4H,1-2H3,(H,11,12)
InChI Key:
GGAJNQYNONSYBH-UHFFFAOYSA-N
SMILES:
CSc1c(C)[nH]c2c1cc(F)cn2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.243g/mol
Monoisotopic Mass:
196.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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