Home Halogens 6-bromo-3-fluoro-2-(trifluoromethoxy)benzoic acid

6-bromo-3-fluoro-2-(trifluoromethoxy)benzoic acid

CAS No.:
2090478-43-4
Catalog Number:
AG01ELCF
Molecular Formula:
C8H3BrF4O3
Molecular Weight:
303.0052
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Product Description
Catalog Number:
AG01ELCF
Chemical Name:
6-bromo-3-fluoro-2-(trifluoromethoxy)benzoic acid
CAS Number:
2090478-43-4
Molecular Formula:
C8H3BrF4O3
Molecular Weight:
303.0052
MDL Number:
MFCD31667052
IUPAC Name:
6-bromo-3-fluoro-2-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H3BrF4O3/c9-3-1-2-4(10)6(5(3)7(14)15)16-8(11,12)13/h1-2H,(H,14,15)
InChI Key:
ZKBHDESMKSIEGU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1OC(F)(F)F)C(=O)O)Br
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.92g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.007g/mol
Monoisotopic Mass:
301.92g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties