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1242260-60-1 | 3-Quinolinecarboxylic acid, 4-bromo-8-methoxy-, ethyl ester
CAS No: 1242260-60-1 Catalog No: AG000LPN MDL No:MFCD16987485
Product Description
Catalog Number:
AG000LPN
Chemical Name:
3-Quinolinecarboxylic acid, 4-bromo-8-methoxy-, ethyl ester
CAS Number:
1242260-60-1
Molecular Formula:
C13H12BrNO3
Molecular Weight:
310.1433
MDL Number:
MFCD16987485
IUPAC Name:
ethyl 4-bromo-8-methoxyquinoline-3-carboxylate
InChI:
InChI=1S/C13H12BrNO3/c1-3-18-13(16)9-7-15-12-8(11(9)14)5-4-6-10(12)17-2/h4-7H,3H2,1-2H3
InChI Key:
QKMBRKPDOOMMKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Br)cccc2OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.147g/mol
Monoisotopic Mass:
309g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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