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1192-53-6 | 1H-Imidazole, 4,5-dichloro-1-methyl-
CAS No: 1192-53-6 Catalog No: AG000ICI MDL No:
Product Description
Catalog Number:
AG000ICI
Chemical Name:
1H-Imidazole, 4,5-dichloro-1-methyl-
CAS Number:
1192-53-6
Molecular Formula:
C4H4Cl2N2
Molecular Weight:
150.9940
IUPAC Name:
4,5-dichloro-1-methylimidazole
InChI:
InChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChI Key:
VVYQLPWYFQBZOL-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1Cl)Cl
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.975g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.99g/mol
Monoisotopic Mass:
149.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis, QSAR and calcium channel antagonist activity of new 1,4-dihydropyridine derivatives containing 1-methyl-4,5-dichloroimidazolyl substituents. | Archiv der Pharmazie 20071001 |
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