Benzoic acid, 2-bromo-4-mercapto-


Chemical Name: Benzoic acid, 2-bromo-4-mercapto-
CAS Number: 7041-50-1
Product Number: AG005V63(AGN-PC-0LLPZS)
Synonyms:
MDL No:
Molecular Formula: C7H5BrO2S
Molecular Weight: 233.0824

Identification/Properties


Properties
MP:
184-190°C
Storage:
-10 ℃;Inert atmosphere;
Computed Properties
Molecular Weight:
233.079g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
231.919g/mol
Monoisotopic Mass:
231.919g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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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