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1000342-56-2

1000342-56-2 | 1H-Indazole, 3-iodo-4-methyl-6-nitro-

CAS No: 1000342-56-2 Catalog No: AG0000JE MDL No:

Product Description

Catalog Number:
AG0000JE
Chemical Name:
1H-Indazole, 3-iodo-4-methyl-6-nitro-
CAS Number:
1000342-56-2
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
IUPAC Name:
3-iodo-4-methyl-6-nitro-2H-indazole
InChI:
InChI=1S/C8H6IN3O2/c1-4-2-5(12(13)14)3-6-7(4)8(9)11-10-6/h2-3H,1H3,(H,10,11)
InChI Key:
QJGKMXBICJYOCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c2c(c1)[nH]nc2I

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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