methyl 4-bromo-2-methylsulfonylbenzoate


Chemical Name: methyl 4-bromo-2-methylsulfonylbenzoate
CAS Number: 773134-43-3
Product Number: AG003RUP(AGN-PC-09SGAA)
Synonyms:
MDL No: MFCD06204242
Molecular Formula: C9H9BrO4S
Molecular Weight: 293.1344

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
293.14g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
291.94049g/mol
Monoisotopic Mass:
291.94049g/mol
Topological Polar Surface Area:
68.8Ų
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
333
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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