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Home > Fluorides > 124534-14-1
124534-14-1 | Quinoline, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-8-fluoro-
CAS No: 124534-14-1 Catalog No: AG000M68 MDL No:
Product Description
Catalog Number:
AG000M68
Chemical Name:
Quinoline, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-8-fluoro-
CAS Number:
124534-14-1
Molecular Formula:
C21H22FNO
Molecular Weight:
323.4039
IUPAC Name:
4-[2-(4-tert-butylphenyl)ethoxy]-8-fluoroquinoline
InChI:
InChI=1S/C21H22FNO/c1-21(2,3)16-9-7-15(8-10-16)12-14-24-19-11-13-23-20-17(19)5-4-6-18(20)22/h4-11,13H,12,14H2,1-3H3
InChI Key:
NIWYIINIOXKATE-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1nccc2OCCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.411g/mol
Monoisotopic Mass:
323.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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