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Home > Nitro Compounds > 1167056-10-1
1167056-10-1 | 1H-Indazole, 5-methyl-4,6-dinitro-
CAS No: 1167056-10-1 Catalog No: AG000D2H MDL No:
Product Description
Catalog Number:
AG000D2H
Chemical Name:
1H-Indazole, 5-methyl-4,6-dinitro-
CAS Number:
1167056-10-1
Molecular Formula:
C8H6N4O4
Molecular Weight:
222.1576
IUPAC Name:
5-methyl-4,6-dinitro-1H-indazole
InChI:
InChI=1S/C8H6N4O4/c1-4-7(11(13)14)2-6-5(3-9-10-6)8(4)12(15)16/h2-3H,1H3,(H,9,10)
InChI Key:
LMZSJGMIVUJHCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]ncc2c(c1C)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.16g/mol
Monoisotopic Mass:
222.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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