Home Sulfos methyl 2-(3-bromobenzenesulfonyl)acetate

methyl 2-(3-bromobenzenesulfonyl)acetate

CAS No.:
865707-53-5
Catalog Number:
AG01AULN
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
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Product Description
Catalog Number:
AG01AULN
Chemical Name:
methyl 2-(3-bromobenzenesulfonyl)acetate
CAS Number:
865707-53-5
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
MDL Number:
MFCD17219430
IUPAC Name:
methyl 2-(3-bromophenyl)sulfonylacetate
InChI:
InChI=1S/C9H9BrO4S/c1-14-9(11)6-15(12,13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3
InChI Key:
YRTUNRIARCETBZ-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1cccc(c1)Br
Properties
Complexity:
320  
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:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties