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Home > Nitro Compounds > 82208-47-7
82208-47-7 | 1H-Pyrazole, 1-methyl-4-nitro-, radical ion(1-)
CAS No: 82208-47-7 Catalog No: AG00G2R9 MDL No:
Product Description
Catalog Number:
AG00G2R9
Chemical Name:
1H-Pyrazole, 1-methyl-4-nitro-, radical ion(1-)
CAS Number:
82208-47-7
IUPAC Name:
1-methyl-4-nitropyrazole
InChI:
InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3
InChI Key:
CZVJIVYLYOVBRP-UHFFFAOYSA-N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Free radicals in vicarious C-amination reactions of 1-methyl-4-nitropyrazole. | Magnetic resonance in chemistry : MRC 20051201 |
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