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115892-07-4 | 1,8-Naphthyridin-2(1H)-one, 4-hydroxy-1-[3-(trifluoromethyl)phenyl]-
CAS No: 115892-07-4 Catalog No: AG000H2D MDL No:
Product Description
Catalog Number:
AG000H2D
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 4-hydroxy-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
115892-07-4
Molecular Formula:
C15H9F3N2O2
Molecular Weight:
306.2394
IUPAC Name:
4-hydroxy-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
InChI:
InChI=1S/C15H9F3N2O2/c16-15(17,18)9-3-1-4-10(7-9)20-13(22)8-12(21)11-5-2-6-19-14(11)20/h1-8,21H
InChI Key:
WNVRBYHNGKGZNG-UHFFFAOYSA-N
SMILES:
Oc1cc(=O)n(c2c1cccn2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.244g/mol
Monoisotopic Mass:
306.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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