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15965-31-8 | 1H-Imidazole, 5-chloro-
CAS No: 15965-31-8 Catalog No: AG001RAA MDL No:MFCD09033087
Product Description
Catalog Number:
AG001RAA
Chemical Name:
1H-Imidazole, 5-chloro-
CAS Number:
15965-31-8
Molecular Formula:
C3H3ClN2
Molecular Weight:
102.5223
MDL Number:
MFCD09033087
IUPAC Name:
5-chloro-1H-imidazole
InChI:
InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:
BQRBAXFOPZRMCU-UHFFFAOYSA-N
SMILES:
Clc1cnc[nH]1
NSC Number:
222413
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.998g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.521g/mol
Monoisotopic Mass:
101.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Carbene reactivity of 4-diazo-4H-imidazoles toward nucleophiles and aromatic compounds. | The Journal of organic chemistry 20091218 |
| Synthesis and biological activities of novel nonpeptide angiotensin II receptor antagonists based on benzimidazole derivatives bearing a heterocyclic ring. | Bioorganic & medicinal chemistry 20081215 |
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