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1707580-60-6 | 6-Fluoro-3-isopropyl-1H-indole
CAS No: 1707580-60-6 Catalog No: AG01FF38 MDL No:
Product Description
Catalog Number:
AG01FF38
Chemical Name:
6-Fluoro-3-isopropyl-1H-indole
CAS Number:
1707580-60-6
Molecular Formula:
C11H12FN
Molecular Weight:
177.2181
IUPAC Name:
6-fluoro-3-propan-2-yl-1H-indole
InChI:
InChI=1S/C11H12FN/c1-7(2)10-6-13-11-5-8(12)3-4-9(10)11/h3-7,13H,1-2H3
InChI Key:
JLLNRNHSSLIHQY-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]cc2C(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.222g/mol
Monoisotopic Mass:
177.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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