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6756-33-8 | 1H-Imidazole,2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 6756-33-8 Catalog No: AG005MJK MDL No:
Product Description
Catalog Number:
AG005MJK
Chemical Name:
1H-Imidazole,2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
6756-33-8
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
InChI:
InChI=1S/C9H7N3O3/c13-12(14)9-4-2-7(15-9)1-3-8-10-5-6-11-8/h1-6H,(H,10,11)/b3-1+
InChI Key:
JAHFQTJMEWJODS-HNQUOIGGSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=Cc1ncc[nH]1
NSC Number:
145900
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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