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Sorafenib impurity 2 (Standard)

CAT: 0804-HY-W048413RSize: 1 EachDry Ice: NoHazardous: No
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Description
Ethyl (4-chloro-3- (trifluoromethyl) phenyl) carbamate (Standard) is the analytical standard of Ethyl (4-chloro-3- (trifluoromethyl) phenyl) carbamate. This product is intended for research and analytical applications.
CAS Number
18585-06-3
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=C(OCC)NC1=CC=C(Cl)C(C(F)(F)F)=C1
Molecular Formula
C10H9ClF3NO2
Molecular Weight
267.63
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Ethyl 4-chloro-3-trifluoromethylcarbanilate
CAS Number18585-06-3
PubChem CID140397
IUPAC Nameethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63
XLogP4.1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
CCOC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKey
BAFPGGUKCVCSKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-chloro-3-trifluoromethylcarbanilate
CAS: 18585-06-3
CID: 140397
Formula: C10H9ClF3NO2
MW: 267.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.63
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass267.0273907
Monoisotopic Mass267.0273907
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
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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