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Home > Nitro Compounds > 444731-73-1
444731-73-1 | 2,3-Dimethyl-6-nitro-2H-indazole
CAS No: 444731-73-1 Catalog No: AG0032Y5 MDL No:MFCD10703326
Product Description
Catalog Number:
AG0032Y5
Chemical Name:
2,3-Dimethyl-6-nitro-2H-indazole
CAS Number:
444731-73-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD10703326
IUPAC Name:
2,3-dimethyl-6-nitroindazole
InChI:
InChI=1S/C9H9N3O2/c1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2/h3-5H,1-2H3
InChI Key:
JHGRUPGVUMAQQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nn(c2C)C
EC Number:
610-189-7
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 2,3-Dimethyl-6-nitro-2H-indazole. | Acta crystallographica. Section E, Structure reports online 20090801 |
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