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Home Sulfos Benzoic acid, 3-(aminosulfonyl)-4-methoxy-

Benzoic acid, 3-(aminosulfonyl)-4-methoxy-

CAS No.:
20532-06-3
Catalog Number:
AG002A0Q
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
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Product Description
Catalog Number:
AG002A0Q
Chemical Name:
Benzoic acid, 3-(aminosulfonyl)-4-methoxy-
CAS Number:
20532-06-3
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD06355949
IUPAC Name:
4-methoxy-3-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H9NO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChI Key:
CKCJWLSXMXMIQO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N)C(=O)O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties