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2995-45-1,MFCD00041011
Catalog No.:AA003I7Q
2995-45-1 | 3-(Trifluoromethoxy)nitrobenzene
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1g
95%
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$27.00   $19.00
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25g
>97%
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$48.00   $34.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I7Q
Chemical Name:
3-(Trifluoromethoxy)nitrobenzene
CAS Number:
2995-45-1
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
MDL Number:
MFCD00041011
IUPAC Name:
1-nitro-3-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H
InChI Key:
QBWJNDOQIAARBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.108g/mol
Monoisotopic Mass:
207.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
1-nitro-3-(trifluoromethoxy)benzene 
3-(trifluoromethoxy)nitrobenzene 
3-trifluoromethoxy nitrobenzene 
SCHEMBL1130974 
CTK3J3601 
KS-00000ENJ 
DTXSID50380460 
PC7439J 
QBWJNDOQIAARBT-UHFFFAOYSA-N 
ZINC167144 
ACT12671 
ZX-AP006327 
2995-45-1 
ANW-26739 
MFCD00041011 
SBB063428 
AKOS005145716 
AC-9727 
ACM2995451 
AM61892 
AS01592 
CS-W015278 
FCH1321951 
M-nitrotrifluoromethoxybenzene 
MCULE-1522185723 
PF10306 
RTR-012943 
TRA0027473 
VZ26138 
AJ-16602 
CJ-02365 
DS-14602 
SY017134 
U760 
Benzene, 1-nitro-3-(trifluoromethoxy)- 
ZB008757 
AB0019447 
AX8041572 
DB-023878 
TR-012943 
FT-0613913 
N0884 
ST24038148 
ST51041559 
S-8062 
AK-54891 
MFCD00041011 (97+%) 
995T451 
I01-1665 
C7H4F3NO3 
ZINC00167144 
CID2777297 
3-trifluoromrthoxynitrobebzene - 5G 5g 
PubChem4624 
AC1MCRLX 
ACMC-209hc5 
KSC493M0D 
Literature
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