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1255099-19-4 | 6-Quinolinecarboxylic acid, 4a,5,6,7,8,8a-hexahydro-2-(trifluoromethyl)-
CAS No: 1255099-19-4 Catalog No: AG000NRG MDL No:
Product Description
Catalog Number:
AG000NRG
Chemical Name:
6-Quinolinecarboxylic acid, 4a,5,6,7,8,8a-hexahydro-2-(trifluoromethyl)-
CAS Number:
1255099-19-4
Molecular Formula:
C11H12F3NO2
Molecular Weight:
247.2137
IUPAC Name:
2-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinoline-6-carboxylic acid
InChI:
InChI=1S/C11H12F3NO2/c12-11(13,14)9-4-2-6-5-7(10(16)17)1-3-8(6)15-9/h2,4,6-8H,1,3,5H2,(H,16,17)
InChI Key:
LXWYEMNRKSKQNR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC2C(C1)C=CC(=N2)C(F)(F)F
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.217g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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