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Home > Imidazoles > 133933-39-8
133933-39-8 | 1H-Imidazole-1-ethanol,a-(3-iodo-2-propenyl)-2-nitro-,[S-(E)]- (9CI)
CAS No: 133933-39-8 Catalog No: AG007MNG MDL No:
Product Description
Catalog Number:
AG007MNG
Chemical Name:
1H-Imidazole-1-ethanol,a-(3-iodo-2-propenyl)-2-nitro-,[S-(E)]- (9CI)
CAS Number:
133933-39-8
Molecular Formula:
C8H10IN3O3
Molecular Weight:
323.0878
IUPAC Name:
5-iodo-1-(2-nitro-1H-imidazol-5-yl)pent-4-en-2-ol
InChI:
InChI=1S/C8H10IN3O3/c9-3-1-2-7(13)4-6-5-10-8(11-6)12(14)15/h1,3,5,7,13H,2,4H2,(H,10,11)
InChI Key:
NEFIMYOXGXCMNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc(c[nH]1)CC(CC=CI)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.09g/mol
Monoisotopic Mass:
322.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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