Home Bromides 581813-17-4
581813-17-4,MFCD13185386
Catalog No.:AA003IYD
581813-17-4 | 3-Bromo-4-(trifluoromethyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$16.00   $11.00
- +
1g
95%
in stock  
$36.00   $25.00
- +
5g
95%
in stock  
$140.00   $98.00
- +
10g
95%
in stock  
$265.00   $185.00
- +
25g
95%
in stock  
$603.00   $422.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IYD
Chemical Name:
3-Bromo-4-(trifluoromethyl)benzoic acid
CAS Number:
581813-17-4
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD13185386
IUPAC Name:
3-bromo-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4BrF3O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
OWNPWXHFRGDHMC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-Bromo-4-(trifluoromethyl)benzoic acid 
581813-17-4 
ANW-48564 
CL8072 
MFCD13185386 
ZINC61717418 
AKOS015919652 
3-bromo-4-trifluoromethyl-benzoic acid 
CM12550 
GS-3909 
AC-28584 
AK-67821 
3-BROMO-4-TRIFLUOROMETHYLBENZOIC ACID 
BR-67821 
SC-68690 
SY034319 
AB0025645 
AJ-114017 
TC-137309 
4CH-010092 
FT-0767682 
ST24028432 
W7138 
Benzoic acid, 3-bromo-4-(trifluoromethyl)- 
MFCD13185386 (97%) 
S-5633 
C8H4BrF3O2 
3-Bromo-4-(trifluoromethyl)benzoicacid 
SCHEMBL1811724 
CTK8B5392 
DTXSID40624946 
OWNPWXHFRGDHMC-UHFFFAOYSA-N 
ACT07344 
BCP20942 
Literature
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