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186517-41-9,MFCD01631342
Catalog No.:AA003J3Z
186517-41-9 | 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
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1g
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$72.00   $50.00
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5g
95%
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$279.00   $195.00
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Technical Information
Catalog Number:
AA003J3Z
Chemical Name:
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
CAS Number:
186517-41-9
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
MDL Number:
MFCD01631342
IUPAC Name:
3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3ClF4O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
InChI Key:
PCNHWBAPTNAREE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(Cl)ccc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.554g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid 
186517-41-9 
PCNHWBAPTNAREE-UHFFFAOYSA-N 
JRD-1021 
ZINC2574957 
ZX-AP006020 
6268AD 
PC0151 
SBB099615 
AKOS005258504 
JS-4168 
MCULE-5726017735 
MFCD01631342 
RTR-008616 
VZ26566 
KS-000019P4 
ACM186517419 
AJ-42290 
CC-14653 
SC-50838 
AX8005577 
DB-044607 
CS-0038448 
PubChem8541 
FT-0615333 
ST50407342 
C-5908 
3-chloro-2-fluoro-6-trifluoromethylbenzoic acid 
3-Chloro-2-fluoro-6-trifluoromethyl-benzoic acid 
A813050 
C-14647 
Benzoic acid, 3-chloro-2-fluoro-6-(trifluoromethyl)- 
Benzoic acid,3-chloro-2-fluoro-6-(trifluoromethyl)- 
I01-14228 
AC1MCNEQ 
3-chloranyl-2-fluoranyl-6-(trifluoromethyl)benzoic acid 
3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, 97+% 
3 - Chloro - 2 - fluoro - 6 - (trifluoromethyl)benzoic acid 
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, AldrichCPR 
2-carboxy-4-chloro-3-fluorobenzotrifluoride, 5-chloro-alpha,alpha,alpha,6-tetrafluoro-o-toluic acid 
C8H3ClF4O2 
CID2773754 
rarechem al be 0494 
ACMC-1BX8A 
SCHEMBL7927678 
CTK4D9265 
DTXSID70378687 
Literature
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