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Home > Imidazoles > 88251-68-7
88251-68-7 | 1H-Imidazole, 4-methyl-2-[(2-nitrophenyl)thio]-
CAS No: 88251-68-7 Catalog No: AG004AMI MDL No:
Product Description
Catalog Number:
AG004AMI
Chemical Name:
1H-Imidazole, 4-methyl-2-[(2-nitrophenyl)thio]-
CAS Number:
88251-68-7
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
IUPAC Name:
5-methyl-2-(2-nitrophenyl)sulfanyl-1H-imidazole
InChI:
InChI=1S/C10H9N3O2S/c1-7-6-11-10(12-7)16-9-5-3-2-4-8(9)13(14)15/h2-6H,1H3,(H,11,12)
InChI Key:
ZYBIINWEFRJAJJ-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)Sc1ccccc1[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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