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Home > Nitro Compounds > 26120-43-4
26120-43-4 | 1H-Indazole, 1-methyl-4-nitro-
CAS No: 26120-43-4 Catalog No: AG002RRR MDL No:MFCD09607929
Product Description
Catalog Number:
AG002RRR
Chemical Name:
1H-Indazole, 1-methyl-4-nitro-
CAS Number:
26120-43-4
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD09607929
IUPAC Name:
1-methyl-4-nitroindazole
InChI:
InChI=1S/C8H7N3O2/c1-10-7-3-2-4-8(11(12)13)6(7)5-9-10/h2-5H,1H3
InChI Key:
FGSQGIYFGWQTRE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cnn2C
NSC Number:
131658
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| New hypotheses for the binding mode of 4- and 7-substituted indazoles in the active site of neuronal nitric oxide synthase. | Bioorganic & medicinal chemistry 20120901 |
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