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Home > Fluorides > 1233881-86-1
1233881-86-1 | 1H-Indole, 1-(4-fluorophenyl)-2-(trifluoromethyl)-
CAS No: 1233881-86-1 Catalog No: AG000KHG MDL No:
Product Description
Catalog Number:
AG000KHG
Chemical Name:
1H-Indole, 1-(4-fluorophenyl)-2-(trifluoromethyl)-
CAS Number:
1233881-86-1
Molecular Formula:
C15H9F4N
Molecular Weight:
279.2323
IUPAC Name:
1-(4-fluorophenyl)-2-(trifluoromethyl)indole
InChI:
InChI=1S/C15H9F4N/c16-11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-14(20)15(17,18)19/h1-9H
InChI Key:
KMKHWLDFYZCUGC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c2ccccc2cc1C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.238g/mol
Monoisotopic Mass:
279.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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