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945761-94-4 | 1H-Indazole,7-iodo-
CAS No: 945761-94-4 Catalog No: AG00IICP MDL No:MFCD09263215
Product Description
Catalog Number:
AG00IICP
Chemical Name:
1H-Indazole,7-iodo-
CAS Number:
945761-94-4
Molecular Formula:
C7H5IN2
Molecular Weight:
244.0325
MDL Number:
MFCD09263215
IUPAC Name:
7-iodo-1H-indazole
InChI:
InChI=1S/C7H5IN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChI Key:
JBCFWHAFVDMAEU-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1[nH]nc2
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:
2.2
Literature
| Title | Journal |
|---|---|
| Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile. | Bioorganic & medicinal chemistry 20080601 |
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