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145013-73-6 | 5-Quinolinamine, 6-bromo-8-methoxy-4-phenyl-
CAS No: 145013-73-6 Catalog No: AG001KHK MDL No:
Product Description
Catalog Number:
AG001KHK
Chemical Name:
5-Quinolinamine, 6-bromo-8-methoxy-4-phenyl-
CAS Number:
145013-73-6
Molecular Formula:
C16H13BrN2O
Molecular Weight:
329.1912
IUPAC Name:
6-bromo-8-methoxy-4-phenylquinolin-5-amine
InChI:
InChI=1S/C16H13BrN2O/c1-20-13-9-12(17)15(18)14-11(7-8-19-16(13)14)10-5-3-2-4-6-10/h2-9H,18H2,1H3
InChI Key:
JXMOIYMGKWADJF-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c2c1nccc2c1ccccc1)N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.197g/mol
Monoisotopic Mass:
328.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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