Home Sulfos 3-(2-chlorobenzenesulfonyl)propanoic acid

3-(2-chlorobenzenesulfonyl)propanoic acid

CAS No.:
554404-42-1
Catalog Number:
AG00I9W2
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
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Product Description
Catalog Number:
AG00I9W2
Chemical Name:
3-(2-chlorobenzenesulfonyl)propanoic acid
CAS Number:
554404-42-1
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD03965282
IUPAC Name:
3-(2-chlorophenyl)sulfonylpropanoic acid
InChI:
InChI=1S/C9H9ClO4S/c10-7-3-1-2-4-8(7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
SJLMZZSWQNSIIT-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccccc1Cl
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties