Home Halogens 5-(tert-butylsulfamoyl)-2-chlorobenzoic acid

5-(tert-butylsulfamoyl)-2-chlorobenzoic acid

CAS No.:
716360-58-6
Catalog Number:
AG019YNX
Molecular Formula:
C11H14ClNO4S
Molecular Weight:
291.7512
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Product Description
Catalog Number:
AG019YNX
Chemical Name:
5-(tert-butylsulfamoyl)-2-chlorobenzoic acid
CAS Number:
716360-58-6
Molecular Formula:
C11H14ClNO4S
Molecular Weight:
291.7512
MDL Number:
MFCD11521655
IUPAC Name:
5-(tert-butylsulfamoyl)-2-chlorobenzoic acid
InChI:
InChI=1S/C11H14ClNO4S/c1-11(2,3)13-18(16,17)7-4-5-9(12)8(6-7)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChI Key:
OAIIGYWJPJDWMF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.033g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.746g/mol
Monoisotopic Mass:
291.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties