5-Bromo-4-fluoro-2-methyl-benzoic acid


Chemical Name: 5-Bromo-4-fluoro-2-methyl-benzoic acid
CAS Number: 1427416-33-8
Product Number: AG00A04L(AGN-PC-0WAL7P)
Synonyms:
MDL No:
Molecular Formula: C8H6BrFO2
Molecular Weight: 233.0344

Identification/Properties


Computed Properties
Molecular Weight:
233.036g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
231.954g/mol
Monoisotopic Mass:
231.954g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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