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1154743-11-9 | 6-Quinolinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
CAS No: 1154743-11-9 Catalog No: AG000G1M MDL No:MFCD22200341
Product Description
Catalog Number:
AG000G1M
Chemical Name:
6-Quinolinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
CAS Number:
1154743-11-9
Molecular Formula:
C12H8F3NO2
Molecular Weight:
255.1926
MDL Number:
MFCD22200341
IUPAC Name:
methyl 2-(trifluoromethyl)quinoline-6-carboxylate
InChI:
InChI=1S/C12H8F3NO2/c1-18-11(17)8-2-4-9-7(6-8)3-5-10(16-9)12(13,14)15/h2-6H,1H3
InChI Key:
RMVKZDIEWMLCJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccc(n2)C(F)(F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.196g/mol
Monoisotopic Mass:
255.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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