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89442-52-4 | 1H-Imidazole, 1-[2-(4-chlorophenyl)-1-[(4-chlorophenyl)thio]ethyl]-
CAS No: 89442-52-4 Catalog No: AG00437O MDL No:
Product Description
Catalog Number:
AG00437O
Chemical Name:
1H-Imidazole, 1-[2-(4-chlorophenyl)-1-[(4-chlorophenyl)thio]ethyl]-
CAS Number:
89442-52-4
Molecular Formula:
C17H14Cl2N2S
Molecular Weight:
349.2775
IUPAC Name:
1-[2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfanylethyl]imidazole
InChI:
InChI=1S/C17H14Cl2N2S/c18-14-3-1-13(2-4-14)11-17(21-10-9-20-12-21)22-16-7-5-15(19)6-8-16/h1-10,12,17H,11H2
InChI Key:
IVMDWQAESOYCLS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC(n1cncc1)Sc1ccc(cc1)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.025g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.273g/mol
Monoisotopic Mass:
348.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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