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

5-methyl-2-sulfamoylbenzoic acid

CAS No.:
1384725-79-4
Catalog Number:
AG019ZN1
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
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Product Description
Catalog Number:
AG019ZN1
Chemical Name:
5-methyl-2-sulfamoylbenzoic acid
CAS Number:
1384725-79-4
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD22375253
IUPAC Name:
5-methyl-2-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-5-2-3-7(14(9,12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChI Key:
GRAMMQSCJBWGKK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)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:
1.1  
Properties