Benzenesulfonic acid, 4-bromo-, phenyl ester


Chemical Name: Benzenesulfonic acid, 4-bromo-, phenyl ester
CAS Number: 5455-14-1
Product Number: AG003TOT(AGN-PC-0JO866)
Synonyms:
MDL No:
Molecular Formula: C12H9BrO3S
Molecular Weight: 313.1671

Identification/Properties


Properties
MP:
115.5℃
BP:
415.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
313.165g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
311.946g/mol
Monoisotopic Mass:
311.946g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
322
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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