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Home > Imidazoles > 50257-39-1
50257-39-1 | 1-(Mesitylsulfonyl)-1H-imidazole
CAS No: 50257-39-1 Catalog No: AG003T5F MDL No:MFCD00005284
Product Description
Catalog Number:
AG003T5F
Chemical Name:
1-(Mesitylsulfonyl)-1H-imidazole
CAS Number:
50257-39-1
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD00005284
IUPAC Name:
1-(2,4,6-trimethylphenyl)sulfonylimidazole
InChI:
InChI=1S/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3
InChI Key:
XFHVQSPNDDOABS-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cncc1
EC Number:
256-507-4
NSC Number:
240873
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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