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Home > Nitro Compounds > 857773-68-3
857773-68-3 | 6-Methyl-4-nitro-1H-indazole
CAS No: 857773-68-3 Catalog No: AG004OS8 MDL No:MFCD07781466
Product Description
Catalog Number:
AG004OS8
Chemical Name:
6-Methyl-4-nitro-1H-indazole
CAS Number:
857773-68-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD07781466
IUPAC Name:
6-methyl-4-nitro-1H-indazole
InChI:
InChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)8(3-5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key:
DLKUQAHLXGZFPM-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]ncc2c(c1)[N+](=O)[O-]
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:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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