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Diclofenac Sodium Impurity 39

CAT: 1299-RM-D030439-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D030439-01Size:10 mg
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CAS Number
172494-87-0
Synonyms
2,6-dichloro-N- (o-tolyl) aniline
Molecular Formula
C13H11Cl2N
Molecular Weight
252.14
Target Alternative Name
Diclofenac
Product Name Synonym
2,6-dichloro-N- (o-tolyl) aniline

Chemical Information

Diclofenac Impurity 10
CAS Number172494-87-0
PubChem CID19002392
IUPAC Name2,6-dichloro-N-(2-methylphenyl)aniline
Molecular FormulaC13H11Cl2N
Molecular Weight252.14
XLogP5.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H11Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8,16H,1H3
InChIKey
DHYBZJWRKXTOEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diclofenac Impurity 10
CAS: 172494-87-0
CID: 19002392
Formula: C13H11Cl2N
MW: 252.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.14
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass251.0268547
Monoisotopic Mass251.0268547
Topological Polar Surface Area12 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
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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