Benzoic acid, 5-bromo-2-fluoro-, methyl ester


Chemical Name: Benzoic acid, 5-bromo-2-fluoro-, methyl ester
CAS Number: 57381-59-6
Product Number: AG0037IZ(AGN-PC-03CDPL)
Synonyms:
MDL No:
Molecular Formula: C8H6BrFO2
Molecular Weight: 233.0344

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
233.036g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
231.954g/mol
Monoisotopic Mass:
231.954g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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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