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2- (2,5-Dichlorophenyl) -1H-imidazole

CAT: 0127-OR1047317-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047317-01Size:100 mg
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CAS Number
1260677-84-6
MDL Number
MFCD08668740
Purity
95%
Smiles
ClC1=C(C2=NC=CN2)C=C(Cl)C=C1

Chemical Information

2-(2,5-Dichlorophenyl)imidazole
CAS Number1260677-84-6
PubChem CID67618991
IUPAC Name2-(2,5-dichlorophenyl)-1H-imidazole
Molecular FormulaC9H6Cl2N2
Molecular Weight213.06
XLogP3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
C1=CC(=C(C=C1Cl)C2=NC=CN2)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-5H,(H,12,13)
InChIKey
XCJMZHFRQAWPMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,5-Dichlorophenyl)imidazole
CAS: 1260677-84-6
CID: 67618991
Formula: C9H6Cl2N2
MW: 213.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.06
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass211.9908036
Monoisotopic Mass211.9908036
Topological Polar Surface Area28.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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