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STOCK3S-83333,ZINC00521457, 2-(2,4-dichlorophenyl)-6-methylchromen-4-o

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摘 要:STOCK3S-83333,ZINC00521457, 2-(2,4-dichlorophenyl)-6-methylchromen-4-one,Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C=C(C=C3)Cl)Cl,InChI: InChI=1/C16H10Cl2O2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(17)7-,13(11)18/h2-8H,1H3,Molecular Weight
[Synonyms]
STOCK3S-83333
ZINC00521457

[Structure]
STOCK3S-83333,ZINC00521457, 2-(2,4-dichlorophenyl)-6-methylchromen-4-o

[ Properties Computed from Structure]
Molecular Weight305.1554 [g/mol]
Molecular FormulaC16H10Cl2O2
XLogP5.3
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass304.005785
MonoIsotopic Mass304.005785
Topological Polar Surface Area26.3
Heavy Atom Count20
Formal Charge0
Complexity421
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-(2,4-dichlorophenyl)-6-methylchromen-4-one
Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1/C16H10Cl2O2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(17)7-
13(11)18/h2-8H,1H3

 
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