Home Fluorides 1017779-69-9
1017779-69-9,MFCD09832383
Catalog No.:AA0005EI
1017779-69-9 | 3-Fluoro-4-(trifluoromethoxy)aniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$69.00   $48.00
- +
5g
98%
in stock  
$156.00   $109.00
- +
10g
95%
in stock  
$260.00   $182.00
- +
25g
98%
in stock  
$521.00   $365.00
- +
100g
98%
in stock  
$1,508.00   $1,056.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005EI
Chemical Name:
3-Fluoro-4-(trifluoromethoxy)aniline
CAS Number:
1017779-69-9
Molecular Formula:
C7H5F4NO
Molecular Weight:
195.1143
MDL Number:
MFCD09832383
IUPAC Name:
3-fluoro-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key:
NDCPAIUBKAIJTK-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)OC(F)(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
 
3-Fluoro-4-(trifluoromethoxy)aniline 
1017779-69-9 
3-fluoro-4-trifluoromethoxy-aniline 
ZX-AP011788 
ANW-61864 
BBL102917 
FCH835071 
PC5548 
SBB091832 
STL556726 
ZINC36533703 
AKOS006281839 
MFCD09832383 
CM10068 
TRA0078075 
3-fluoro-4-(trifluoromethoxy)phenylamine 
AJ-93247 
DS-13267 
AX8160892 
ST2405064 
TC-150609 
4CH-003757 
Z6403 
AK-37417 
KS-00000107 
4-Amino-alpha,alpha,alpha,2-tetrafluoroanisole 
C7H5F4NO 
Benzenamine, 3-fluoro-4-(trifluoromethoxy)- 
3-Fluoro-4-Trifluoromethoxyphenylamine 
SCHEMBL7779423 
CTK7D6723 
DTXSID00598816 
NDCPAIUBKAIJTK-UHFFFAOYSA-N 
Literature
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