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Home > Bromides > 1086398-26-6
1086398-26-6 | 3-Bromo-4-(3-methoxyphenyl)-1-methyl-1H-2 -quinolinone
CAS No: 1086398-26-6 Catalog No: AG01F7W0 MDL No:
Product Description
Catalog Number:
AG01F7W0
Chemical Name:
3-Bromo-4-(3-methoxyphenyl)-1-methyl-1H-2 -quinolinone
CAS Number:
1086398-26-6
Molecular Formula:
C17H14BrNO2
Molecular Weight:
344.2026
IUPAC Name:
3-bromo-4-(3-methoxyphenyl)-1-methylquinolin-2-one
InChI:
InChI=1S/C17H14BrNO2/c1-19-14-9-4-3-8-13(14)15(16(18)17(19)20)11-6-5-7-12(10-11)21-2/h3-10H,1-2H3
InChI Key:
NICYHSJDYPYXKG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1c(Br)c(=O)n(c2c1cccc2)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.021g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.208g/mol
Monoisotopic Mass:
343.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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