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262586-62-9 | 2-Quinolinecarboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, methyl ester
CAS No: 262586-62-9 Catalog No: AG002SHC MDL No:MFCD10001494
Product Description
Catalog Number:
AG002SHC
Chemical Name:
2-Quinolinecarboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, methyl ester
CAS Number:
262586-62-9
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD10001494
IUPAC Name:
methyl 6-bromo-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChI Key:
DUKAAWDFGPMTJT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)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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