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75999-60-9 | 4-Hydroxy-2-(trifluoromethyl)quinoline-3-carboxylic acid
CAS No: 75999-60-9 Catalog No: AG005GSW MDL No:MFCD13193381
Product Description
Catalog Number:
AG005GSW
Chemical Name:
4-Hydroxy-2-(trifluoromethyl)quinoline-3-carboxylic acid
CAS Number:
75999-60-9
Molecular Formula:
C11H6F3NO3
Molecular Weight:
257.1654
MDL Number:
MFCD13193381
IUPAC Name:
4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H6F3NO3/c12-11(13,14)9-7(10(17)18)8(16)5-3-1-2-4-6(5)15-9/h1-4H,(H,15,16)(H,17,18)
InChI Key:
OSLXMVZJRDZVFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c2ccccc2nc1C(F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.168g/mol
Monoisotopic Mass:
257.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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