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Home > Bromides > 1242260-07-6
1242260-07-6 | 3-Quinolinecarboxylic acid, 4-bromo-6-(trifluoromethyl)-, ethyl ester
CAS No: 1242260-07-6 Catalog No: AG000LOM MDL No:
Product Description
Catalog Number:
AG000LOM
Chemical Name:
3-Quinolinecarboxylic acid, 4-bromo-6-(trifluoromethyl)-, ethyl ester
CAS Number:
1242260-07-6
Molecular Formula:
C13H9BrF3NO2
Molecular Weight:
348.1153
IUPAC Name:
ethyl 4-bromo-6-(trifluoromethyl)quinoline-3-carboxylate
InChI:
InChI=1S/C13H9BrF3NO2/c1-2-20-12(19)9-6-18-10-4-3-7(13(15,16)17)5-8(10)11(9)14/h3-6H,2H2,1H3
InChI Key:
QLOPWFOKKSLPMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Br)cc(cc2)C(F)(F)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.977g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.119g/mol
Monoisotopic Mass:
346.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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