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332176-53-1 | 2-(3,4-Dichloro-phenyl)-quinoline-4-carboxylic acid (2-bromo-phenyl)-amide
CAS No: 332176-53-1 Catalog No: AG01EV7T MDL No:
Product Description
Catalog Number:
AG01EV7T
Chemical Name:
2-(3,4-Dichloro-phenyl)-quinoline-4-carboxylic acid (2-bromo-phenyl)-amide
CAS Number:
332176-53-1
Molecular Formula:
C22H13BrCl2N2O
Molecular Weight:
472.1614
IUPAC Name:
N-(2-bromophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
InChI:
InChI=1S/C22H13BrCl2N2O/c23-16-6-2-4-8-20(16)27-22(28)15-12-21(13-9-10-17(24)18(25)11-13)26-19-7-3-1-5-14(15)19/h1-12H,(H,27,28)
InChI Key:
VAYRKECBBCZSDE-UHFFFAOYSA-N
SMILES:
Brc1ccccc1NC(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.959g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.163g/mol
Monoisotopic Mass:
469.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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