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Home > Fluorides > 147595-44-6
147595-44-6 | 1H-Indole, 5-fluoro-3-(4-pyridinylmethyl)-
CAS No: 147595-44-6 Catalog No: AG001EZK MDL No:
Product Description
Catalog Number:
AG001EZK
Chemical Name:
1H-Indole, 5-fluoro-3-(4-pyridinylmethyl)-
CAS Number:
147595-44-6
Molecular Formula:
C14H11FN2
Molecular Weight:
226.2489
IUPAC Name:
5-fluoro-3-(pyridin-4-ylmethyl)-1H-indole
InChI:
InChI=1S/C14H11FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-6,8-9,17H,7H2
InChI Key:
NRPFMXYBERWMAS-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(c[nH]2)Cc1ccncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.254g/mol
Monoisotopic Mass:
226.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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