Home Iodos 101420-79-5
101420-79-5,MFCD07783655
Catalog No.:AA0004EA
101420-79-5 | 4-Iodo-3-nitrobenzonitrile
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1g
95%
1 week  
$204.00   $143.00
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5g
95%
1 week  
$497.00   $348.00
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10g
95%
1 week  
$718.00   $503.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004EA
Chemical Name:
4-Iodo-3-nitrobenzonitrile
CAS Number:
101420-79-5
Molecular Formula:
C7H3IN2O2
Molecular Weight:
274.0154
MDL Number:
MFCD07783655
IUPAC Name:
4-iodo-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3IN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key:
PZAMZPVQVFOYHP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])I
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.017g/mol
Monoisotopic Mass:
273.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
4-Iodo-3-nitrobenzonitrile 
101420-79-5 
KS-00000YPI 
DTXSID70591197 
CS-B0300 
0379AA 
ANW-57041 
MFCD07783655 
ZINC21990576 
AKOS015909772 
FCH4919250 
LS10160 
Benzonitrile,4-iodo-3-nitro- 
AJ-79695 
AS-46292 
BBV-45531197 
OR400133 
AX8237546 
DB-058604 
RT-020426 
FT-0720805 
ST24023579 
J-000388 
ACMC-20a4pv 
I14-31932 
3-Nitro-4-iodobenzonitrile 
4-Iodo-3-nitro-benzonitrile 
C7H3IN2O2 
SCHEMBL5358509 
Benzonitrile, 4-iodo-3-nitro- 
CTK3J9779 
Literature
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