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108375-63-9 | 1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole
CAS No: 108375-63-9 Catalog No: AG009107 MDL No:
Product Description
Catalog Number:
AG009107
Chemical Name:
1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole
CAS Number:
108375-63-9
IUPAC Name:
1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole
InChI:
InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)11-10(14(15)16)12-7-13(11)2/h3-7H,1-2H3
InChI Key:
DWIFYVQUMRFIPP-UHFFFAOYSA-N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.286g/mol
Monoisotopic Mass:
281.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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