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Home Halogens 4-chloro-3-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid

4-chloro-3-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid

CAS No.:
59210-70-7
Catalog Number:
AG00IAIW
Molecular Formula:
C12H14ClNO5S
Molecular Weight:
319.7613
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Product Description
Catalog Number:
AG00IAIW
Chemical Name:
4-chloro-3-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CAS Number:
59210-70-7
Molecular Formula:
C12H14ClNO5S
Molecular Weight:
319.7613
MDL Number:
MFCD05265139
IUPAC Name:
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C12H14ClNO5S/c13-10-4-3-8(12(15)16)6-11(10)20(17,18)14-7-9-2-1-5-19-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
InChI Key:
IUKNUIPYYGWRKE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1S(=O)(=O)NCC1CCCO1)C(=O)O
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.028g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
319.756g/mol
Monoisotopic Mass:
319.028g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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