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1260853-66-4 | 1,6-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS No: 1260853-66-4 Catalog No: AG000RG3 MDL No:
Product Description
Catalog Number:
AG000RG3
Chemical Name:
1,6-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-
CAS Number:
1260853-66-4
Molecular Formula:
C10H9F3N2O2
Molecular Weight:
246.1859
IUPAC Name:
2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C10H9F3N2O2/c11-10(12,13)8-6(9(16)17)3-5-4-14-2-1-7(5)15-8/h3,14H,1-2,4H2,(H,16,17)
InChI Key:
VFEZKRGSPXNDMX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CNCCc2nc1C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.189g/mol
Monoisotopic Mass:
246.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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