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Home > Fluorides > 828938-84-7
828938-84-7 | Quinoline, 1,2-dihydro-6-methoxy-2,2-dimethyl-1-(trifluoroacetyl)-
CAS No: 828938-84-7 Catalog No: AG004RNZ MDL No:
Product Description
Catalog Number:
AG004RNZ
Chemical Name:
Quinoline, 1,2-dihydro-6-methoxy-2,2-dimethyl-1-(trifluoroacetyl)-
CAS Number:
828938-84-7
Molecular Formula:
C14H14F3NO2
Molecular Weight:
285.2617
IUPAC Name:
2,2,2-trifluoro-1-(6-methoxy-2,2-dimethylquinolin-1-yl)ethanone
InChI:
InChI=1S/C14H14F3NO2/c1-13(2)7-6-9-8-10(20-3)4-5-11(9)18(13)12(19)14(15,16)17/h4-8H,1-3H3
InChI Key:
KCPAWANZSYWOQJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C=CC(N2C(=O)C(F)(F)F)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.266g/mol
Monoisotopic Mass:
285.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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