Home Aminos 3-amino-4-sulfamoylbenzoic acid

3-amino-4-sulfamoylbenzoic acid

CAS No.:
89694-27-9
Catalog Number:
AG01ADZU
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
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Product Description
Catalog Number:
AG01ADZU
Chemical Name:
3-amino-4-sulfamoylbenzoic acid
CAS Number:
89694-27-9
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD24114563
IUPAC Name:
3-amino-4-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H8N2O4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,8H2,(H,10,11)(H2,9,12,13)
InChI Key:
XOTQKKHLBCBBIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)S(=O)(=O)N
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties