Home Sulfos Benzoic acid, 3-amino-5-(methylsulfonyl)-

Benzoic acid, 3-amino-5-(methylsulfonyl)-

CAS No.:
151104-75-5
Catalog Number:
AG001N3U
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
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Product Description
Catalog Number:
AG001N3U
Chemical Name:
Benzoic acid, 3-amino-5-(methylsulfonyl)-
CAS Number:
151104-75-5
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD16059721
IUPAC Name:
3-amino-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)7-3-5(8(10)11)2-6(9)4-7/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
RJGKNTNJHTUTJD-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)S(=O)(=O)C)C(=O)O
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
Properties