Home Fluorides 1014-81-9
1014-81-9,MFCD00041501
Catalog No.:AA0004C4
1014-81-9 | Benzoic acid, 3-(trifluoromethoxy)-
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Purity
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5g
98%(GC)
in stock  
$45.00
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25g
98%(GC)
in stock  
$112.00
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100g
98%(GC)
in stock  
$305.00
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  • Technical Information
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  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004C4
Chemical Name:
Benzoic acid, 3-(trifluoromethoxy)-
CAS Number:
1014-81-9
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00041501
IUPAC Name:
3-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
OKPFIWIMBJNFSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OC(F)(F)F
EC Number:
213-802-2
Properties
Computed Properties
 
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-(Trifluoromethoxy)benzoic acid 
1014-81-9 
OKPFIWIMBJNFSE-UHFFFAOYSA-N 
MFCD00041501 
3-(Trifluoromethoxy)benzoic acid, 98% 
EINECS 213-802-2 
PubChem4590 
ACMC-1BTYB 
KSC489O1N 
CHEMBL69854 
SCHEMBL496275 
3-trifluoromethoxy benzoic acid 
m-Trifluoromethoxybenzoic acid 
AC1L24M8 
RARECHEM AL BO 0437 
CTK3I9716 
KS-00000FFC 
TIMTEC-BB SBB006595 
DTXSID00143906 
3-(trifluoromethoxy)-benzoic acid 
3-(Trifluoromethoxy)benzoic acid 
3-(Trifluoromethoxy)benzoic acid. 
ZINC164779 
Benzoic acid, 3-(trifluoromethoxy)- 
3-Carboxy- , , -trifluoroanisole 
3-(Trifluoromethoxy)benzoic acid # 
AC1Q7339 
ACT00746 
ALBB-006015 
JRD-0648 
ANW-14474 
CL8097 
CT-170 
SBB006595 
m-(trifluoromethoxy)benzoic acid 
STK503670 
3-[(trifluoromethyl)oxy]benzoic acid 
AKOS002663546 
AC-4014 
AN-6226 
AS01913 
BS-4164 
CM12887 
CS-W008406 
DS-1084 
3-trifluoromethoxybenzoic acid 
MCULE-6782708879 
RP26210 
RTR-000385 
TF10379 
TRA0004383 
3-(Trifluoromethoxy)benzoic acid, 97% 
AJ-16282 
AK-41820 
BR-41820 
S260 
3-(Trifluoromethoxy)benzoicacid 
SC-00083 
AB0018541 
DB-021754 
TR-000385 
AM20060102 
FT-0613903 
ST24028364 
ST50306926 
A-4110 
I04-0390 
alpha,alpha,alpha-Trifluoro-m-anisic Acid 
W-108915 
F0293-0013 
C8H5F3O3 
C8-H5-F3-O3 
CID66096 
A1470 
T2383 
3-(Trifluoromethoxy)benzoic acid, 95% - 1G 1g 
3-Carboxy-alpha,alpha,alpha-trifluoroanisole 
3-Trifluoromethoxy-benzoic acid 
Literature
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