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Home > Imidazoles > 114748-88-8
114748-88-8 | 1H-Imidazole, 5-iodo-2-phenyl-
CAS No: 114748-88-8 Catalog No: AG000F5K MDL No:
Product Description
Catalog Number:
AG000F5K
Chemical Name:
1H-Imidazole, 5-iodo-2-phenyl-
CAS Number:
114748-88-8
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
IUPAC Name:
5-iodo-2-phenyl-1H-imidazole
InChI:
InChI=1S/C9H7IN2/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
QELNVWZGYDCGOB-UHFFFAOYSA-N
SMILES:
Ic1cnc([nH]1)c1ccccc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.073g/mol
Monoisotopic Mass:
269.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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