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401-94-5,MFCD00061229
Catalog No.:AA003ITZ
401-94-5 | 3-Amino-5-nitrobenzotrifluoride
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Quantity
  
1g
95%
in stock  
$59.00   $41.00
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5g
>97%
in stock  
$127.00   $89.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003ITZ
Chemical Name:
3-Amino-5-nitrobenzotrifluoride
CAS Number:
401-94-5
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD00061229
IUPAC Name:
3-nitro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
InChI Key:
LTVWXWWSCLXXAT-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-nitro-5-(trifluoromethyl)aniline 
401-94-5 
PubChem2558 
PubChem2795 
AC1MCQF6 
SCHEMBL1894 
KSC915S5R 
3-Nitro-5-trifluoromethylaniline 
CTK8B5958 
DTXSID00379667 
LTVWXWWSCLXXAT-UHFFFAOYSA-N 
3-(Trifluoromethyl)-5-nitroaniline 
3-Amino-5-nitrobenzotrifluoride 
ACT11603 
KS-000009RD 
ZX-AP004522 
ANW-51387 
PC8673 
SBB064789 
ZINC15440586 
AKOS002663570 
3-nitro-5-(trifluoromethyl)phenylamine 
AS05401 
MFCD00061229 
CM11519 
CS-W002284 
FCH1321535 
RTR-016048 
TRA0025162 
3-AMINO-5-NITRO BENZOTRIFLUORIDE 
AJ-67332 
AN-44749 
CJ-15101 
DS-12362 
3-amino-5-(trifluoromethyl)nitrobenzene 
SC-04260 
SY003092 
AX8033577 
4CH-006175 
AM20050181 
FT-0659518 
ST24032656 
W6061 
M-4727 
MFCD00061229 (97+%) 
3-nitro-5-trifluoromethyl-phenylamine 
401A945 
A824974 
C-47034 
I01-5852 
C7H5F3N2O2 
3-Amino-5-N-nitrobenzotrifluoride 
ACN-055889 
CID2775709 
3-nitro-5-(trifluoromethyl)benzenamine 
5-nitro-3-(trifluoromethyl)phenylamine 
AK-35045 
Benzenamine, 3-nitro-5-(trifluoromethyl)- 
Literature
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