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Oprea1_319469,ZINC00336076, 5-chloro-3-methoxy-2-(phenylmethoxy)benzal

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摘 要:Oprea1_319469,ZINC00336076, 5-chloro-3-methoxy-2-(phenylmethoxy)benzaldehyde,Canonical SMILES: COC1=C(C(=CC(=C1)Cl)C=O)OCC2=CC=CC=C2,InChI: InChI=1/C15H13ClO3/c1-18-14-8-13(16)7-12(9-17)15(14)19-10-11-5-3-2-4-6-,11/h2-9H,10H2,1H3,Molecular Weight276.
[Synonyms]
Oprea1_319469
ZINC00336076

[Structure]
Oprea1_319469,ZINC00336076, 5-chloro-3-methoxy-2-(phenylmethoxy)benzal

[ Properties Computed from Structure]
Molecular Weight276.71492 [g/mol]
Molecular FormulaC15H13ClO3
XLogP3.6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass276.055322
MonoIsotopic Mass276.055322
Topological Polar Surface Area35.5
Heavy Atom Count19
Formal Charge0
Complexity279
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: 5-chloro-3-methoxy-2-(phenylmethoxy)benzaldehyde
Canonical SMILES: COC1=C(C(=CC(=C1)Cl)C=O)OCC2=CC=CC=C2
InChI: InChI=1/C15H13ClO3/c1-18-14-8-13(16)7-12(9-17)15(14)19-10-11-5-3-2-4-6-
11/h2-9H,10H2,1H3

 
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