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STK198934,ZINC00468202, 2-[(3-fluorophenyl)methoxy]naphthalene-1-carba

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摘 要:STK198934,ZINC00468202, 2-[(3-fluorophenyl)methoxy]naphthalene-1-carbaldehyde,Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2C=O)OCC3=CC(=CC=C3)F,InChI: InChI=1/C18H13FO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17,(18)11-20/h1-11H,12H2,Molecular
[Synonyms]
STK198934
ZINC00468202

[Structure]
STK198934,ZINC00468202, 2-[(3-fluorophenyl)methoxy]naphthalene-1-carba

[ Properties Computed from Structure]
Molecular Weight280.293023 [g/mol]
Molecular FormulaC18H13FO2
XLogP4.8
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass280.089958
MonoIsotopic Mass280.089958
Topological Polar Surface Area26.3
Heavy Atom Count21
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[(3-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2C=O)OCC3=CC(=CC=C3)F
InChI: InChI=1/C18H13FO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17
(18)11-20/h1-11H,12H2

 
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