Home Other Building Blocks 3-methyl-4-sulfamoylbenzoic acid

3-methyl-4-sulfamoylbenzoic acid

CAS No.:
866997-46-8
Catalog Number:
AG01AGOD
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AGOD
Chemical Name:
3-methyl-4-sulfamoylbenzoic acid
CAS Number:
866997-46-8
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD00454357
IUPAC Name:
3-methyl-4-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChI Key:
NLJXDIBQKZNOFJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)S(=O)(=O)N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties