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Home > Imidazoles > 96740-74-8
96740-74-8 | 1H-Imidazol-5-ol, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
CAS No: 96740-74-8 Catalog No: AG005STY MDL No:
Product Description
Catalog Number:
AG005STY
Chemical Name:
1H-Imidazol-5-ol, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
CAS Number:
96740-74-8
Molecular Formula:
C8H13N3O5S
Molecular Weight:
263.2709
IUPAC Name:
3-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazol-4-ol
InChI:
InChI=1S/C8H13N3O5S/c1-3-17(15,16)5-4-10-6(2)9-7(8(10)12)11(13)14/h12H,3-5H2,1-2H3
InChI Key:
ZJWKRPPNTALLIT-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CCn1c(C)nc(c1O)[N+](=O)[O-]
UNII:
U893LIC9LN
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.268g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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