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Home > Bromides > 1260821-25-7
1260821-25-7 | 3-Quinolinecarboxylic acid, 6-bromo-4,7-dichloro-, ethyl ester
CAS No: 1260821-25-7 Catalog No: AG000REI MDL No:MFCD16036872
Product Description
Catalog Number:
AG000REI
Chemical Name:
3-Quinolinecarboxylic acid, 6-bromo-4,7-dichloro-, ethyl ester
CAS Number:
1260821-25-7
Molecular Formula:
C12H8BrCl2NO2
Molecular Weight:
349.0074
MDL Number:
MFCD16036872
IUPAC Name:
ethyl 6-bromo-4,7-dichloroquinoline-3-carboxylate
InChI:
InChI=1S/C12H8BrCl2NO2/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15/h3-5H,2H2,1H3
InChI Key:
WAXSWJMMSJALHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cc(c(c2)Cl)Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.912g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.005g/mol
Monoisotopic Mass:
346.912g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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