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Home > Nitro Compounds > 26120-44-5
26120-44-5 | 2H-Indazole, 2-methyl-4-nitro-
CAS No: 26120-44-5 Catalog No: AG002RRQ MDL No:MFCD11982555
Product Description
Catalog Number:
AG002RRQ
Chemical Name:
2H-Indazole, 2-methyl-4-nitro-
CAS Number:
26120-44-5
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD11982555
IUPAC Name:
2-methyl-4-nitroindazole
InChI:
InChI=1S/C8H7N3O2/c1-10-5-6-7(9-10)3-2-4-8(6)11(12)13/h2-5H,1H3
InChI Key:
NCSBJAWUBPTMRX-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1)c(ccc2)[N+](=O)[O-]
NSC Number:
131657
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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