Home Fluorides 1019996-86-1
1019996-86-1,MFCD21609608
Catalog No.:AA00064Y
1019996-86-1 | 1-Nitro-4-[4-(trifluoromethoxy)phenyl]benzene
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1g
98%
in stock  
$172.00   $120.00
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5g
98%
in stock  
$762.00   $534.00
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Technical Information
Catalog Number:
AA00064Y
Chemical Name:
1-Nitro-4-[4-(trifluoromethoxy)phenyl]benzene
CAS Number:
1019996-86-1
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
MDL Number:
MFCD21609608
IUPAC Name:
1-nitro-4-[4-(trifluoromethoxy)phenyl]benzene
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)20-12-7-3-10(4-8-12)9-1-5-11(6-2-9)17(18)19/h1-8H
InChI Key:
ANTKACMMIPBFAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

Synonyms
 
1-Nitro-4-[4-(trifluoromethoxy)phenyl]benzene 
1019996-86-1 
4-nitro-4'-(trifluoromethoxy)biphenyl 
AKOS025293969 
TC-103315 
Z6438 
4-Nitro-4'-(trifluoromethoxy)-1,1'-biphenyl 
K-0274 
1,1'-Biphenyl, 4-nitro-4'-(trifluoromethoxy)- 
C13H8F3NO3 
ACMC-2097y4 
SCHEMBL1242136 
CTK8A9022 
DTXSID50733093 
ANTKACMMIPBFAY-UHFFFAOYSA-N 
ANW-14570 
MFCD21609608 
ZINC85471730 
Literature
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