1H-Imidazole-1-acetonitrile,a-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-, (aE)-


Chemical Name: 1H-Imidazole-1-acetonitrile,a-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-, (aE)-
CAS Number: 101530-10-3
Product Number: AG0004QG(AGN-PC-0OQQBH)
Synonyms:
MDL No: MFCD00865590
Molecular Formula: C14H10ClN3S2
Molecular Weight: 319.8323

Identification/Properties


Computed Properties
Molecular Weight:
319.825g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
319g/mol
Monoisotopic Mass:
319g/mol
Topological Polar Surface Area:
92.2A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
445
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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