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1154743-13-1 | 6-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS No: 1154743-13-1 Catalog No: AG000G1L MDL No:MFCD18261183
Product Description
Catalog Number:
AG000G1L
Chemical Name:
6-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS Number:
1154743-13-1
Molecular Formula:
C11H10F3NO2
Molecular Weight:
245.1978
MDL Number:
MFCD18261183
IUPAC Name:
2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
InChI:
InChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-6-5-7(10(16)17)1-3-8(6)15-9/h2,4,7H,1,3,5H2,(H,16,17)
InChI Key:
RAWUKUNDMGWMAL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)ccc(n2)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:
245.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.201g/mol
Monoisotopic Mass:
245.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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