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Diclofenac Ethyl Ester

CAT: 0572-TRC-D436495-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436495-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15307-77-4
Synonyms
Ethyl [2-[(2,6-Dichlorophenyl)amino]phenyl]acetate; Ethyl 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetate; Aceclofenac Imp. C (EP); Ethyl Ester of Diclofenac; Aceclofenac Impurity C
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
Molecular Formula
C16 H15 Cl2 N O2
Molecular Weight
324.2
InChI
InChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3
Additionnal Information
IUPAC name: ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Diclofenac Ethyl Ester
CAS Number15307-77-4
PubChem CID11381728
IUPAC Nameethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.2
XLogP5.1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CCOC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3
InChIKey
YPBCAMNSNFVYQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diclofenac Ethyl Ester
CAS: 15307-77-4
CID: 11381728
Formula: C16H15Cl2NO2
MW: 324.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass323.0479841
Monoisotopic Mass323.0479841
Topological Polar Surface Area38.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
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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