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1698727-54-6 | 5-Fluoro-3-isobutyl-1H-indole
CAS No: 1698727-54-6 Catalog No: AG01FF7E MDL No:
Product Description
Catalog Number:
AG01FF7E
Chemical Name:
5-Fluoro-3-isobutyl-1H-indole
CAS Number:
1698727-54-6
Molecular Formula:
C12H14FN
Molecular Weight:
191.2447
IUPAC Name:
5-fluoro-3-(2-methylpropyl)-1H-indole
InChI:
InChI=1S/C12H14FN/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12/h3-4,6-8,14H,5H2,1-2H3
InChI Key:
GKISFOZHHMIAGR-UHFFFAOYSA-N
SMILES:
CC(Cc1c[nH]c2c1cc(F)cc2)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.249g/mol
Monoisotopic Mass:
191.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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