Home Other Building Blocks 3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid

3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid

CAS No.:
379729-09-6
Catalog Number:
AG019GN2
Molecular Formula:
C14H12FNO4S
Molecular Weight:
309.3128
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Product Description
Catalog Number:
AG019GN2
Chemical Name:
3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid
CAS Number:
379729-09-6
Molecular Formula:
C14H12FNO4S
Molecular Weight:
309.3128
MDL Number:
MFCD03152725
IUPAC Name:
3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid
InChI:
InChI=1S/C14H12FNO4S/c1-9-2-3-10(14(17)18)8-13(9)21(19,20)16-12-6-4-11(15)5-7-12/h2-8,16H,1H3,(H,17,18)
InChI Key:
MTXSWENEFRJQMW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(=O)O
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.047g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.311g/mol
Monoisotopic Mass:
309.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties