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Diclofenac Sodium Impurity 55

CAT: 1299-RM-D030455-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D030455-01Size:10 mg
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CAS Number
60805-31-4
Synonyms
(4-chloro-2-hydroxyphenyl) (4-chlorophenyl) methanone
Molecular Formula
C13H8Cl2O2
Molecular Weight
267.11
Target Alternative Name
Diclofenac
Product Name Synonym
(4-chloro-2-hydroxyphenyl) (4-chlorophenyl) methanone

Chemical Information

Methanone, (4-chloro-2-hydroxyphenyl)(4-chlorophenyl)-
CAS Number60805-31-4
PubChem CID10468165
IUPAC Name(4-chloro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
Molecular FormulaC13H8Cl2O2
Molecular Weight267.10
XLogP4.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity275
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C13H8Cl2O2/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,16H
InChIKey
CNYDAPXBZMSUIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (4-chloro-2-hydroxyphenyl)(4-chlorophenyl)-
CAS: 60805-31-4
CID: 10468165
Formula: C13H8Cl2O2
MW: 267.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight267.10
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass265.9901349
Monoisotopic Mass265.9901349
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity275
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