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794461-86-2 | 1,7-Naphthyridine-3-carboxylicacid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-, ethyl ester
CAS No: 794461-86-2 Catalog No: AG0051UF MDL No:
Product Description
Catalog Number:
AG0051UF
Chemical Name:
1,7-Naphthyridine-3-carboxylicacid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-, ethyl ester
CAS Number:
794461-86-2
Molecular Formula:
C12H13F3N2O2
Molecular Weight:
274.2390
IUPAC Name:
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
InChI:
InChI=1S/C12H13F3N2O2/c1-2-19-11(18)8-5-7-3-4-16-6-9(7)17-10(8)12(13,14)15/h5,16H,2-4,6H2,1H3
InChI Key:
HQUITAKYLCSYBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2CCNCc2nc1C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.243g/mol
Monoisotopic Mass:
274.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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