Home Other Building Blocks 3-(dimethylsulfamoyl)-4-fluorobenzoic acid

3-(dimethylsulfamoyl)-4-fluorobenzoic acid

CAS No.:
381229-72-7
Catalog Number:
AG019VCI
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
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Product Description
Catalog Number:
AG019VCI
Chemical Name:
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CAS Number:
381229-72-7
Molecular Formula:
C9H10FNO4S
Molecular Weight:
247.2434
MDL Number:
MFCD09040991
IUPAC Name:
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C9H10FNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChI Key:
SFRDRLYPUDGRAQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1S(=O)(=O)N(C)C)C(=O)O
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.24g/mol
Monoisotopic Mass:
247.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties