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1167056-16-7 | 1H-Indazole, 3-iodo-4-methyl-5-nitro-
CAS No: 1167056-16-7 Catalog No: AG000D2C MDL No:
Product Description
Catalog Number:
AG000D2C
Chemical Name:
1H-Indazole, 3-iodo-4-methyl-5-nitro-
CAS Number:
1167056-16-7
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
IUPAC Name:
3-iodo-4-methyl-5-nitro-2H-indazole
InChI:
InChI=1S/C8H6IN3O2/c1-4-6(12(13)14)3-2-5-7(4)8(9)11-10-5/h2-3H,1H3,(H,10,11)
InChI Key:
HTAVAOLJIWRUSZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1C)c(I)n[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.059g/mol
Monoisotopic Mass:
302.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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