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Home > Imidazoles > 81382-49-2
81382-49-2 | 1H-Imidazole, 2-[(2-nitrophenyl)thio]-
CAS No: 81382-49-2 Catalog No: AG008MFA MDL No:
Product Description
Catalog Number:
AG008MFA
Chemical Name:
1H-Imidazole, 2-[(2-nitrophenyl)thio]-
CAS Number:
81382-49-2
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
IUPAC Name:
2-(2-nitrophenyl)sulfanyl-1H-imidazole
InChI:
InChI=1S/C9H7N3O2S/c13-12(14)7-3-1-2-4-8(7)15-9-10-5-6-11-9/h1-6H,(H,10,11)
InChI Key:
FILREWYTDPRLQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Sc1ncc[nH]1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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