Home Iodos 1000343-55-4
1000343-55-4,MFCD09026988
Catalog No.:AA0000IT
1000343-55-4 | 1H-Indazole, 3-iodo-6-methyl-5-nitro-
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1g
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Technical Information
Catalog Number:
AA0000IT
Chemical Name:
1H-Indazole, 3-iodo-6-methyl-5-nitro-
CAS Number:
1000343-55-4
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
MDL Number:
MFCD09026988
IUPAC Name:
3-iodo-6-methyl-5-nitro-2H-indazole
InChI:
InChI=1S/C8H6IN3O2/c1-4-2-6-5(8(9)11-10-6)3-7(4)12(13)14/h2-3H,1H3,(H,10,11)
InChI Key:
UMRBFGNXSMPUHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(I)n[nH]c2cc1C
Properties
Computed 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  

Synonyms
 
3-Iodo-6-methyl-5-nitro-1H-indazole 
1000343-55-4 
FCH1390240 
3-Iodo-5-nitro-6-methyl (1H)indazole 
AJ-66429 
AK141093 
AX8281292 
CS-0036540 
FT-0710760 
W-1182 
3-iodo-6-methyl-5-nitro-2H-indazole 
SCHEMBL1028170 
KS-00000RTP 
DTXSID40646663 
MFCD09026988 
ZINC14985779 
AKOS022173136 
DS-7210 
Literature
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