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1023815-99-7 | 2-Quinolinecarboxylic acid, 8-(trifluoromethyl)-
CAS No: 1023815-99-7 Catalog No: AG0007AY MDL No:
Product Description
Catalog Number:
AG0007AY
Chemical Name:
2-Quinolinecarboxylic acid, 8-(trifluoromethyl)-
CAS Number:
1023815-99-7
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
IUPAC Name:
8-(trifluoromethyl)quinoline-2-carboxylic acid
InChI:
InChI=1S/C11H6F3NO2/c12-11(13,14)7-3-1-2-6-4-5-8(10(16)17)15-9(6)7/h1-5H,(H,16,17)
InChI Key:
RLUWEWVQVYDBHB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(n1)c(ccc2)C(F)(F)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.169g/mol
Monoisotopic Mass:
241.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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