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950985-29-2 | 3-Bromo-4-(4-cyanophenyl)-1-methyl-2-oxo-1,2-dihydroquinoline
CAS No: 950985-29-2 Catalog No: AG01EZL7 MDL No:
Product Description
Catalog Number:
AG01EZL7
Chemical Name:
3-Bromo-4-(4-cyanophenyl)-1-methyl-2-oxo-1,2-dihydroquinoline
CAS Number:
950985-29-2
Molecular Formula:
C17H11BrN2O
Molecular Weight:
339.1860
IUPAC Name:
4-(3-bromo-1-methyl-2-oxoquinolin-4-yl)benzonitrile
InChI:
InChI=1S/C17H11BrN2O/c1-20-14-5-3-2-4-13(14)15(16(18)17(20)21)12-8-6-11(10-19)7-9-12/h2-9H,1H3
InChI Key:
SCXUMLAWRDLPIK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1c(Br)c(=O)n(c2c1cccc2)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.192g/mol
Monoisotopic Mass:
338.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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