Home Bromides 104222-42-6
104222-42-6,MFCD05664065
Catalog No.:AA003IX3
104222-42-6 | 3-Bromo-2,4,5-trifluorobenzoic acid
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Purity
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Price(USD)
Quantity
  
1g
96%
in stock  
$50.00   $35.00
- +
5g
96%
in stock  
$179.00   $125.00
- +
25g
96%
in stock  
$754.00   $528.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IX3
Chemical Name:
3-Bromo-2,4,5-trifluorobenzoic acid
CAS Number:
104222-42-6
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
MDL Number:
MFCD05664065
IUPAC Name:
3-bromo-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H2BrF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)
InChI Key:
VWVLSESGZBAPHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)Br)F
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:
253.919g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.99g/mol
Monoisotopic Mass:
253.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
3-Bromo-2,4,5-trifluorobenzoic acid 
104222-42-6 
AC1MD43E 
SCHEMBL8056962 
Jsp000426 
DTXSID80382533 
VWVLSESGZBAPHA-UHFFFAOYSA-N 
ZINC2548043 
ZX-AP012221 
SBB064608 
AKOS015890179 
CM12545 
2,4,5-Trifluoro-3-bromobenzoic acid 
FCH1322957 
MCULE-6858875098 
PC10514 
AC-26015 
AJ-39490 
AN-33921 
B148 
BC002152 
PS-10110 
U034 
MFCD05664065 
AX8010114 
DB-040527 
RT-008590 
3-BROMO-2,4,5-TRIFLUOROBENZOICACID 
FT-0615133 
FT-0642562 
ST51040167 
X4327 
3-BROMO-2,4,5-TRIFLUORO BENZOIC ACID 
222B426 
Benzoic acid, 3-bromo-2,4,5-trifluoro- 
3-Bromo-2,4,5-trifluorobenzoic acid, AldrichCPR 
A800929 
A803904 
I01-5249 
C7HBrF4O2 
CID2783246 
33564-64-6 
118292-40-3 
3-bromanyl-2,4,5-tris(fluoranyl)benzoic acid 
PubChem1366 
3-bromo-2,4,5-trifluoro-benzoic Acid 
ACMC-20an96 
C7H2BrF3O2 
Literature
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