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89446-13-9 | Quinoline, 6-bromo-4,8-dimethoxy-2-methyl-
CAS No: 89446-13-9 Catalog No: AG0043ET MDL No:
Product Description
Catalog Number:
AG0043ET
Chemical Name:
Quinoline, 6-bromo-4,8-dimethoxy-2-methyl-
CAS Number:
89446-13-9
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
IUPAC Name:
6-bromo-4,8-dimethoxy-2-methylquinoline
InChI:
InChI=1S/C12H12BrNO2/c1-7-4-10(15-2)9-5-8(13)6-11(16-3)12(9)14-7/h4-6H,1-3H3
InChI Key:
VNWJXSMMKLHQBH-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1nc(C)cc2OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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