Home Sulfos 4-chloro-3-(pyrrolidine-1-sulfonyl)benzoic acid

4-chloro-3-(pyrrolidine-1-sulfonyl)benzoic acid

CAS No.:
59210-73-0
Catalog Number:
AG00IAIX
Molecular Formula:
C11H12ClNO4S
Molecular Weight:
289.7353
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Product Description
Catalog Number:
AG00IAIX
Chemical Name:
4-chloro-3-(pyrrolidine-1-sulfonyl)benzoic acid
CAS Number:
59210-73-0
Molecular Formula:
C11H12ClNO4S
Molecular Weight:
289.7353
MDL Number:
MFCD01469424
IUPAC Name:
4-chloro-3-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H12ClNO4S/c12-9-4-3-8(11(14)15)7-10(9)18(16,17)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
VKDGPXAVGXQODU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCC1)Cl
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.018g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.73g/mol
Monoisotopic Mass:
289.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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