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5,8-Dichloro-2-phenyl-4-quinolinol

CAT: 0024-sc-291043Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-291043Size:500 mg
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CAS Number
1070879-78-5

Chemical Information

5,8-Dichloro-2-phenylquinolin-4(1H)-one
CAS Number1070879-78-5
PubChem CID39346176
IUPAC Name5,8-dichloro-2-phenyl-1H-quinolin-4-one
Molecular FormulaC15H9Cl2NO
Molecular Weight290.1
XLogP4.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity390
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC(=C3N2)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO/c16-10-6-7-11(17)15-14(10)13(19)8-12(18-15)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKey
MIYZABSFDAVJTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,8-Dichloro-2-phenylquinolin-4(1H)-one
CAS: 1070879-78-5
CID: 39346176
Formula: C15H9Cl2NO
MW: 290.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.1
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass289.0061193
Monoisotopic Mass289.0061193
Topological Polar Surface Area29.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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