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78597-27-0 | 6-Iodo-1H-benzo[d]imidazole
CAS No: 78597-27-0 Catalog No: AG0059GA MDL No:MFCD13185224
Product Description
Catalog Number:
AG0059GA
Chemical Name:
6-Iodo-1H-benzo[d]imidazole
CAS Number:
78597-27-0
Molecular Formula:
C7H5IN2
Molecular Weight:
244.0325
MDL Number:
MFCD13185224
IUPAC Name:
6-iodo-1H-benzimidazole
InChI:
InChI=1S/C7H5IN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChI Key:
NQDPBRYGCUYBJM-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)[nH]cn2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.95g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.035g/mol
Monoisotopic Mass:
243.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Stereocontrolled synthesis of heterocyclic C-nucleosides. Protecting group effect and molecular modeling studies. | The Journal of organic chemistry 20020531 |
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