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179943-57-8 | 3-Quinolinecarboxylic acid, 7-bromo-4-hydroxy-, ethyl ester
CAS No: 179943-57-8 Catalog No: AG0021HY MDL No:MFCD00487280
Product Description
Catalog Number:
AG0021HY
Chemical Name:
3-Quinolinecarboxylic acid, 7-bromo-4-hydroxy-, ethyl ester
CAS Number:
179943-57-8
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD00487280
IUPAC Name:
ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
WJFBKTAITAHHAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)ccc(c2)Br
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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