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206257-41-2 | 3-Quinolinecarboxylic acid, 7-bromo-4-chloro-, ethyl ester
CAS No: 206257-41-2 Catalog No: AG002IDU MDL No:MFCD09746288
Product Description
Catalog Number:
AG002IDU
Chemical Name:
3-Quinolinecarboxylic acid, 7-bromo-4-chloro-, ethyl ester
CAS Number:
206257-41-2
Molecular Formula:
C12H9BrClNO2
Molecular Weight:
314.5624
MDL Number:
MFCD09746288
IUPAC Name:
ethyl 7-bromo-4-chloroquinoline-3-carboxylate
InChI:
InChI=1S/C12H9BrClNO2/c1-2-17-12(16)9-6-15-10-5-7(13)3-4-8(10)11(9)14/h3-6H,2H2,1H3
InChI Key:
NYXULZOUQJAFCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)ccc(c2)Br
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.563g/mol
Monoisotopic Mass:
312.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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