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PKR Inhibitor, Negative Control

CAT: 0024-sc-204201Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204201Size:10 mg
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CAS Number
852547-30-9

Chemical Information

5-Chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
CAS Number852547-30-9
PubChem CID24906292
IUPAC Name5-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
Molecular FormulaC15H8Cl3NO2
Molecular Weight340.6
XLogP4.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity444
SMILES
C1=CC2=C(C=C1Cl)C(=CC3=CC(=C(C(=C3)Cl)O)Cl)C(=O)N2
InChI
InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)
InChIKey
ZJFMARHFPUZEKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
CAS: 852547-30-9
CID: 24906292
Formula: C15H8Cl3NO2
MW: 340.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass338.962062
Monoisotopic Mass338.962062
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes