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89440-50-6 | 1H-Imidazole, 1-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl](ethylthio)methyl]-
CAS No: 89440-50-6 Catalog No: AG0043SB MDL No:
Product Description
Catalog Number:
AG0043SB
Chemical Name:
1H-Imidazole, 1-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl](ethylthio)methyl]-
CAS Number:
89440-50-6
Molecular Formula:
C15H17ClN2O2S
Molecular Weight:
324.8257
IUPAC Name:
1-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-ethylsulfanylmethyl]imidazole
InChI:
InChI=1S/C15H17ClN2O2S/c1-2-21-14(18-8-7-17-11-18)15(19-9-10-20-15)12-3-5-13(16)6-4-12/h3-8,11,14H,2,9-10H2,1H3
InChI Key:
FNYOFYDHUYRCGE-UHFFFAOYSA-N
SMILES:
CCSC(C1(OCCO1)c1ccc(cc1)Cl)n1cncc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.823g/mol
Monoisotopic Mass:
324.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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