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50593-68-5 | 3-Chloro-6-nitro-1H-indazole
CAS No: 50593-68-5 Catalog No: AG003JA4 MDL No:MFCD00010741
Product Description
Catalog Number:
AG003JA4
Chemical Name:
3-Chloro-6-nitro-1H-indazole
CAS Number:
50593-68-5
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD00010741
IUPAC Name:
3-chloro-6-nitro-2H-indazole
InChI:
InChI=1S/C7H4ClN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
InChI Key:
IBTQINLHMGQUJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]nc2Cl
EC Number:
256-631-9
NSC Number:
84179
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation. | Bioorganic & medicinal chemistry 20090901 |
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