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4-Chloroimidazole

CAT: 1299-RG-E141079-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141079-01Size:10 mg
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CAS Number
15965-31-8
Synonyms
5-chloro-1H-imidazole
Molecular Formula
C3H3ClN2
Molecular Weight
102.52
Product Name Synonym
5-chloro-1H-imidazole

Chemical Information

4-Chloroimidazole
CAS Number15965-31-8
PubChem CID140019
IUPAC Name5-chloro-1H-imidazole
Molecular FormulaC3H3ClN2
Molecular Weight102.52
XLogP1
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C1=C(NC=N1)Cl
InChI
InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
BQRBAXFOPZRMCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloroimidazole
CAS: 15965-31-8
CID: 140019
Formula: C3H3ClN2
MW: 102.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.52
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass101.9984758
Monoisotopic Mass101.9984758
Topological Polar Surface Area28.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity48.1
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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