Home Other Building Blocks 3-fluoro-2-methyl-5-sulfamoylbenzoic acid

3-fluoro-2-methyl-5-sulfamoylbenzoic acid

CAS No.:
2044870-83-7
Catalog Number:
AG01C43A
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
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Product Description
Catalog Number:
AG01C43A
Chemical Name:
3-fluoro-2-methyl-5-sulfamoylbenzoic acid
CAS Number:
2044870-83-7
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
MDL Number:
MFCD30486524
IUPAC Name:
3-fluoro-2-methyl-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H8FNO4S/c1-4-6(8(11)12)2-5(3-7(4)9)15(10,13)14/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
KANKEABGHGDWSF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1C)F)S(=O)(=O)N
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.213g/mol
Monoisotopic Mass:
233.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties