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Clotrimazole Impurity 3

CAT: 1596-AR-C08158-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08158-01Size:10 Units
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CAS Number
289887-34-9
Synonyms
1- ((2-chlorophenyl) diphenylmethyl) -4-methyl-1H-imidazole
Molecular Formula
C23H19ClN2
Molecular Weight
358.87
API Name
Clotrimazole

Chemical Information

Clotrimazole Impurity 11
CAS Number289887-34-9
PubChem CID85776114
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]-4-methylimidazole
Molecular FormulaC23H19ClN2
Molecular Weight358.9
XLogP5.5
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity423
SMILES
CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H19ClN2/c1-18-16-26(17-25-18)23(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-14-8-9-15-22(21)24/h2-17H,1H3
InChIKey
HXVKQTCJXYHGRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clotrimazole Impurity 11
CAS: 289887-34-9
CID: 85776114
Formula: C23H19ClN2
MW: 358.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.9
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass358.1236763
Monoisotopic Mass358.1236763
Topological Polar Surface Area17.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity423
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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