Home Halogens 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

CAS No.:
194804-96-1
Catalog Number:
AG01EL7R
Molecular Formula:
C8H3BrF4O2
Molecular Weight:
287.0058
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Product Description
Catalog Number:
AG01EL7R
Chemical Name:
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CAS Number:
194804-96-1
Molecular Formula:
C8H3BrF4O2
Molecular Weight:
287.0058
MDL Number:
MFCD22052785
IUPAC Name:
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3BrF4O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
InChI Key:
PHLNXVHMVADJBE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1F)C(F)(F)F)Br
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  
Properties