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Raf inhibitor 2 50mg

CAT: 0628-A22641-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22641-50Size:50 mg
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CAS Number
220904-99-4

Chemical Information

5-Chloro-3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one
CAS Number220904-99-4
PubChem CID25014542
IUPAC Name(3Z)-5-chloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one
Molecular FormulaC15H8Br2ClNO2
Molecular Weight429.49
XLogP4.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity447
SMILES
C1=CC2=C(C=C1Cl)/C(=C/C3=CC(=C(C(=C3)Br)O)Br)/C(=O)N2
InChI
InChI=1S/C15H8Br2ClNO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
InChIKey
MPIHOJMBMIMKAJ-KMKOMSMNSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one
CAS: 220904-99-4
CID: 25014542
Formula: C15H8Br2ClNO2
MW: 429.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.49
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass428.85898
Monoisotopic Mass426.86103
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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