Home Aldehydes 101066-57-3
101066-57-3,MFCD13185770
Catalog No.:AA0003KU
101066-57-3 | 4-Nitro-3-(trifluoromethyl)benzaldehyde
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250mg
95%
in stock  
$86.00   $60.00
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1g
95%
in stock  
$163.00   $114.00
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5g
95%
in stock  
$715.00   $500.00
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Technical Information
Catalog Number:
AA0003KU
Chemical Name:
4-Nitro-3-(trifluoromethyl)benzaldehyde
CAS Number:
101066-57-3
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD13185770
IUPAC Name:
4-nitro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3NO3/c9-8(10,11)6-3-5(4-13)1-2-7(6)12(14)15/h1-4H
InChI Key:
QLLHNXOKFCMSQR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.119g/mol
Monoisotopic Mass:
219.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
4-Nitro-3-(trifluoromethyl)benzaldehyde 
101066-57-3 
0327AA 
3-trifluoromethyl-4-nitrobenzaldehyde 
ANW-52852 
CL8366 
MFCD13185770 
ZINC82237867 
AKOS015999935 
DS-17976 
AB0087422 
AJ-125107 
4-nitro-3-trifluoromethylbenzaldehyde 
AX8231729 
TC-141597 
CS-0042057 
ST24023626 
X-1441 
C8H4F3NO3 
AK-94403 
Benzaldehyde, 4-nitro-3-(trifluoromethyl)- 
SCHEMBL4100002 
CTK8B6145 
DTXSID80710897 
QLLHNXOKFCMSQR-UHFFFAOYSA-N 
KS-00000Q2N 
Literature
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