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Home > Bromides > 1395493-07-8
1395493-07-8 | 6-Quinolinecarboxylic acid, 3-bromo-1,4-dihydro-4-oxo-, methyl ester
CAS No: 1395493-07-8 Catalog No: AG001B92 MDL No:
Product Description
Catalog Number:
AG001B92
Chemical Name:
6-Quinolinecarboxylic acid, 3-bromo-1,4-dihydro-4-oxo-, methyl ester
CAS Number:
1395493-07-8
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
IUPAC Name:
methyl 3-bromo-4-oxo-1H-quinoline-6-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-16-11(15)6-2-3-9-7(4-6)10(14)8(12)5-13-9/h2-5H,1H3,(H,13,14)
InChI Key:
WLIGBCRSJPGWNK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(=O)c(c[nH]2)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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