Home Sulfos methyl 3-bromo-5-methanesulfonylbenzoate

methyl 3-bromo-5-methanesulfonylbenzoate

CAS No.:
154117-77-8
Catalog Number:
AG01BC6D
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
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Product Description
Catalog Number:
AG01BC6D
Chemical Name:
methyl 3-bromo-5-methanesulfonylbenzoate
CAS Number:
154117-77-8
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
MDL Number:
MFCD24107069
IUPAC Name:
methyl 3-bromo-5-methylsulfonylbenzoate
InChI:
InChI=1S/C9H9BrO4S/c1-14-9(11)6-3-7(10)5-8(4-6)15(2,12)13/h3-5H,1-2H3
InChI Key:
DQAABAZUHVDUMR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1)S(=O)(=O)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.94g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.131g/mol
Monoisotopic Mass:
291.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties