Home Sulfos (4-Bromophenylsulfonyl)acetic acid methyl ester

(4-Bromophenylsulfonyl)acetic acid methyl ester

CAS No.:
50397-65-4
Catalog Number:
AG00DQH9
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
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Product Description
Catalog Number:
AG00DQH9
Chemical Name:
(4-Bromophenylsulfonyl)acetic acid methyl ester
CAS Number:
50397-65-4
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
MDL Number:
MFCD11642539
IUPAC Name:
methyl 2-(4-bromophenyl)sulfonylacetate
InChI:
InChI=1S/C9H9BrO4S/c1-14-9(11)6-15(12,13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChI Key:
CNEVNTZDQZVZGP-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
312  
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