Home Bromides 1026962-68-4
1026962-68-4,MFCD21365092
Catalog No.:AA00082E
1026962-68-4 | 6-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$60.00   $42.00
- +
10g
98%
in stock  
$402.00   $281.00
- +
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Technical Information
Catalog Number:
AA00082E
Chemical Name:
6-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CAS Number:
1026962-68-4
Molecular Formula:
C8H3BrF4O2
Molecular Weight:
287.0058
MDL Number:
MFCD21365092
IUPAC Name:
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3BrF4O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15)
InChI Key:
IFMFJFGMOSTGLZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)ccc(c1F)C(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:
285.925g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.008g/mol
Monoisotopic Mass:
285.925g/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
 
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic Acid 
1026962-68-4 
2-Bromo-6-fluoro-5-trifluoromethylbenzoic acid 
C-0230 
Benzoic acid, 6-bromo-2-fluoro-3-(trifluoromethyl)- 
CID10171656 
SCHEMBL6725047 
KS-00000TFK 
IFMFJFGMOSTGLZ-UHFFFAOYSA-N 
MFCD21365092 
ZINC34371871 
AKOS027253305 
AK203083 
DS-10315 
Literature
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