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89442-39-7 | 1H-Imidazole, 1-[2-(4-chlorophenyl)-1-(phenylthio)ethyl]-
CAS No: 89442-39-7 Catalog No: AG0044JL MDL No:
Product Description
Catalog Number:
AG0044JL
Chemical Name:
1H-Imidazole, 1-[2-(4-chlorophenyl)-1-(phenylthio)ethyl]-
CAS Number:
89442-39-7
Molecular Formula:
C17H15ClN2S
Molecular Weight:
314.8324
IUPAC Name:
1-[2-(4-chlorophenyl)-1-phenylsulfanylethyl]imidazole
InChI:
InChI=1S/C17H15ClN2S/c18-15-8-6-14(7-9-15)12-17(20-11-10-19-13-20)21-16-4-2-1-3-5-16/h1-11,13,17H,12H2
InChI Key:
RBQBJDIGIBUWRN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC(n1cncc1)Sc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.831g/mol
Monoisotopic Mass:
314.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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