Home Other Building Blocks 3-(tert-butylsulfamoyl)-4-fluorobenzoic acid

3-(tert-butylsulfamoyl)-4-fluorobenzoic acid

CAS No.:
926245-18-3
Catalog Number:
AG019LN0
Molecular Formula:
C11H14FNO4S
Molecular Weight:
275.2966
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Product Description
Catalog Number:
AG019LN0
Chemical Name:
3-(tert-butylsulfamoyl)-4-fluorobenzoic acid
CAS Number:
926245-18-3
Molecular Formula:
C11H14FNO4S
Molecular Weight:
275.2966
MDL Number:
MFCD08667686
IUPAC Name:
3-(tert-butylsulfamoyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C11H14FNO4S/c1-11(2,3)13-18(16,17)9-6-7(10(14)15)4-5-8(9)12/h4-6,13H,1-3H3,(H,14,15)
InChI Key:
IVIQFJGPVKZBKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)NC(C)(C)C)F
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.063g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.294g/mol
Monoisotopic Mass:
275.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties