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Enzalutamide impurity 4 (Standard)

CAT: 0804-HY-Z3770RSize: 1 EachDry Ice: NoHazardous: No
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Description
Methyl 2-fluoro-4- ((1-methoxy-2-methyl-1-oxopropan-2-yl) amino) benzoate (Enzalutamide Impurity) (Standard) is the analytical standard of methyl 2-fluoro-4- ((1-methoxy-2-methyl-1-oxopropan-2-yl) amino) benzoate (Enzalutamide Impurity) . This product is intended for research and analytical applications.
CAS Number
1802242-47-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Reference Standards
Related Pathways
Others
Smiles
O=C(OC)C1=CC=C(NC(C)(C)C(OC)=O)C=C1F
Molecular Formula
C13H16FNO4
Molecular Weight
269.27
Precautions
H302, H315, H319, H335
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl 2-fluoro-4-(1-methoxy-2-methyl-1-oxopropan-2-ylamino)benzoate
CAS Number1802242-47-2
PubChem CID121260242
IUPAC Namemethyl 2-fluoro-4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
Molecular FormulaC13H16FNO4
Molecular Weight269.27
XLogP2.4
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity346
SMILES
CC(C)(C(=O)OC)NC1=CC(=C(C=C1)C(=O)OC)F
InChI
InChI=1S/C13H16FNO4/c1-13(2,12(17)19-4)15-8-5-6-9(10(14)7-8)11(16)18-3/h5-7,15H,1-4H3
InChIKey
IDAJNIOTTOAHJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-fluoro-4-(1-methoxy-2-methyl-1-oxopropan-2-ylamino)benzoate
CAS: 1802242-47-2
CID: 121260242
Formula: C13H16FNO4
MW: 269.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.27
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass269.10633615
Monoisotopic Mass269.10633615
Topological Polar Surface Area64.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity346
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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