Home Fluorides 113421-98-0
113421-98-0,MFCD09832246
Catalog No.:AA0008GT
113421-98-0 | 4-Fluoro-3-(trifluoromethoxy)aniline
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250mg
97%
in stock  
$100.00   $70.00
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1g
99.21%
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$169.00   $118.00
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Technical Information
Catalog Number:
AA0008GT
Chemical Name:
4-Fluoro-3-(trifluoromethoxy)aniline
CAS Number:
113421-98-0
Molecular Formula:
C7H5F4NO
Molecular Weight:
195.1143
MDL Number:
MFCD09832246
IUPAC Name:
4-fluoro-3-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5F4NO/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key:
JSMGZPOPIVVIRZ-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(N)ccc1F)(F)F
Properties
Computed Properties
 
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.117g/mol
Monoisotopic Mass:
195.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
4-FLUORO-3-(TRIFLUOROMETHOXY)ANILINE 
113421-98-0 
FCH834988 
SBB091830 
ZINC38529590 
4-fluoro-3-(trifluoromethoxy)-aniline 
AKOS006282046 
CS-W006332 
DS-4394 
4-fluoro-3-(trifluoromethoxy)phenylamine 
AJ-95472 
PC500550 
Benzenamine, 4-fluoro-3-(trifluoromethoxy)- 
AX8227645 
ST2405789 
4CH-017392 
FT-0740182 
4-FLUORO-3-(TRIFLUORO METHOXY)ANILINE 
C7H5F4NO 
MFCD09832246 
AK109733 
SCHEMBL734531 
CTK7B7290 
DTXSID00616347 
JSMGZPOPIVVIRZ-UHFFFAOYSA-N 
2291AA 
Literature
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