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Desquinolinyl Lenvatinib

CAT: 0572-TRC-D297650-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D297650-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
796848-79-8
Synonyms
N-(2-Chloro-4-hydroxyphenyl)-N'-cyclopropyl-urea
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
N#C/C=C(\C)/C=C/C1C(C)(C)CC(O)CC=1C
Molecular Formula
C10H11ClN2O2
Molecular Weight
226.66
InChI
InChI=1S/C10H11ClN2O2/c11-8-5-7(14)3-4-9(8)13-10(15)12-6-1-2-6/h3-6,14H,1-2H2,(H2,12,13,15)
Additionnal Information
IUPAC name: 1-(2-chloro-4-hydroxy-phenyl)-3-cyclopropyl-urea
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

ME-92
CAS Number796848-79-8
PubChem CID23135084
IUPAC Name1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66
XLogP1.6
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity246
SMILES
C1CC1NC(=O)NC2=C(C=C(C=C2)O)Cl
InChI
InChI=1S/C10H11ClN2O2/c11-8-5-7(14)3-4-9(8)13-10(15)12-6-1-2-6/h3-6,14H,1-2H2,(H2,12,13,15)
InChIKey
QVPZNUIZEVRITP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ME-92
CAS: 796848-79-8
CID: 23135084
Formula: C10H11ClN2O2
MW: 226.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.66
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.0509053
Monoisotopic Mass226.0509053
Topological Polar Surface Area61.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
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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