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1002332-01-5 | 6-Fluoro-3-isobutyl-1H-indole
CAS No: 1002332-01-5 Catalog No: AG01FF45 MDL No:
Product Description
Catalog Number:
AG01FF45
Chemical Name:
6-Fluoro-3-isobutyl-1H-indole
CAS Number:
1002332-01-5
Molecular Formula:
C12H14FN
Molecular Weight:
191.2447
IUPAC Name:
6-fluoro-3-(2-methylpropyl)-1H-indole
InChI:
InChI=1S/C12H14FN/c1-8(2)5-9-7-14-12-6-10(13)3-4-11(9)12/h3-4,6-8,14H,5H2,1-2H3
InChI Key:
QLXRBGLNTHVBOK-UHFFFAOYSA-N
SMILES:
CC(Cc1c[nH]c2c1ccc(c2)F)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:
4.1
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