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Home > Fluorides > 828938-90-5
828938-90-5 | Quinoline, 1,2-dihydro-6-iodo-2,2-dimethyl-1-(trifluoroacetyl)-
CAS No: 828938-90-5 Catalog No: AG004RNY MDL No:
Product Description
Catalog Number:
AG004RNY
Chemical Name:
Quinoline, 1,2-dihydro-6-iodo-2,2-dimethyl-1-(trifluoroacetyl)-
CAS Number:
828938-90-5
Molecular Formula:
C13H11F3INO
Molecular Weight:
381.1322
IUPAC Name:
2,2,2-trifluoro-1-(6-iodo-2,2-dimethylquinolin-1-yl)ethanone
InChI:
InChI=1S/C13H11F3INO/c1-12(2)6-5-8-7-9(17)3-4-10(8)18(12)11(19)13(14,15)16/h3-7H,1-2H3
InChI Key:
GMFIAUHPNAUEMG-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C=CC(N2C(=O)C(F)(F)F)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.137g/mol
Monoisotopic Mass:
380.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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