Methyl 3-Bromo-4-(methylsulfonyl)benzoate


Chemical Name: Methyl 3-Bromo-4-(methylsulfonyl)benzoate
CAS Number: 182003-84-5
Product Number: AG00239I(AGN-PC-03KQ43)
Synonyms:
MDL No: MFCD18651679
Molecular Formula: C9H9BrO4S
Molecular Weight: 293.1344

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
293.131g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
291.94g/mol
Monoisotopic Mass:
291.94g/mol
Topological Polar Surface Area:
68.8A^2
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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