Home Other Building Blocks 4-fluoro-3-[(propan-2-yl)sulfamoyl]benzoic acid

4-fluoro-3-[(propan-2-yl)sulfamoyl]benzoic acid

CAS No.:
701272-36-8
Catalog Number:
AG019MA5
Molecular Formula:
C10H12FNO4S
Molecular Weight:
261.2700
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Product Description
Catalog Number:
AG019MA5
Chemical Name:
4-fluoro-3-[(propan-2-yl)sulfamoyl]benzoic acid
CAS Number:
701272-36-8
Molecular Formula:
C10H12FNO4S
Molecular Weight:
261.2700
MDL Number:
MFCD05988746
IUPAC Name:
4-fluoro-3-(propan-2-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H12FNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14)
InChI Key:
YKZKJQOLNWFKGB-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1cc(ccc1F)C(=O)O)C
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.267g/mol
Monoisotopic Mass:
261.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties