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113712-96-2 | 8-Quinolinol, 5-bromo-7-[(diethylamino)methyl]-2-methyl-
CAS No: 113712-96-2 Catalog No: AG0009FW MDL No:
Product Description
Catalog Number:
AG0009FW
Chemical Name:
8-Quinolinol, 5-bromo-7-[(diethylamino)methyl]-2-methyl-
CAS Number:
113712-96-2
Molecular Formula:
C15H19BrN2O
Molecular Weight:
323.2282
IUPAC Name:
5-bromo-7-(diethylaminomethyl)-2-methylquinolin-8-ol
InChI:
InChI=1S/C15H19BrN2O/c1-4-18(5-2)9-11-8-13(16)12-7-6-10(3)17-14(12)15(11)19/h6-8,19H,4-5,9H2,1-3H3
InChI Key:
GTKYAAZBWHPSBG-UHFFFAOYSA-N
SMILES:
CCN(Cc1cc(Br)c2c(c1O)nc(cc2)C)CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.234g/mol
Monoisotopic Mass:
322.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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