Home Fluorides 1027513-14-9
1027513-14-9,MFCD09800718
Catalog No.:AA00087B
1027513-14-9 | 3-Fluoro-5-iodobenzotrifluoride
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250mg
95%
in stock  
$160.00   $112.00
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1g
95%
in stock  
$513.00   $360.00
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Technical Information
Catalog Number:
AA00087B
Chemical Name:
3-Fluoro-5-iodobenzotrifluoride
CAS Number:
1027513-14-9
Molecular Formula:
C7H3F4I
Molecular Weight:
289.9968
MDL Number:
MFCD09800718
IUPAC Name:
1-fluoro-3-iodo-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F4I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H
InChI Key:
WSIULLRVUJJWOW-UHFFFAOYSA-N
SMILES:
Fc1cc(I)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.922g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.999g/mol
Monoisotopic Mass:
289.922g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
1-Fluoro-3-iodo-5-(trifluoromethyl)benzene 
1027513-14-9 
ZINC49582106 
AKOS016004844 
AS05930 
CM13247 
FS-6465 
AK102501 
AJ-111103 
TR-033851 
BB 0262414 
CS-0060195 
3-Fluoro-5-iodobenzotrifluoride 
FT-0682412 
ST24038020 
Benzene, 1-fluoro-3-iodo-5-(trifluoromethyl)- 
C7H3F4I 
CB11277 
MFCD09800718 
SCHEMBL18260731 
CTK8B9125 
DTXSID30673781 
KS-00000Q9B 
0668AA 
ANW-62071 
Literature
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