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114012-29-2 | 8-Quinolinecarboxylic acid, 7-chloro-3-(trifluoromethyl)-
CAS No: 114012-29-2 Catalog No: AG000AAF MDL No:
Product Description
Catalog Number:
AG000AAF
Chemical Name:
8-Quinolinecarboxylic acid, 7-chloro-3-(trifluoromethyl)-
CAS Number:
114012-29-2
Molecular Formula:
C11H5ClF3NO2
Molecular Weight:
275.6111
IUPAC Name:
7-chloro-3-(trifluoromethyl)quinoline-8-carboxylic acid
InChI:
InChI=1S/C11H5ClF3NO2/c12-7-2-1-5-3-6(11(13,14)15)4-16-9(5)8(7)10(17)18/h1-4H,(H,17,18)
InChI Key:
YVFDMRYZIWJZDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccc2c1ncc(c2)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.611g/mol
Monoisotopic Mass:
274.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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