Home Sulfos Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, ethyl ester

Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, ethyl ester

CAS No.:
4793-25-3
Catalog Number:
AG006YEL
Molecular Formula:
C9H9Cl2NO4S
Molecular Weight:
298.1431
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Product Description
Catalog Number:
AG006YEL
Chemical Name:
Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, ethyl ester
CAS Number:
4793-25-3
Molecular Formula:
C9H9Cl2NO4S
Molecular Weight:
298.1431
MDL Number:
MFCD00447139
IUPAC Name:
ethyl 2,4-dichloro-5-sulfamoylbenzoate
InChI:
InChI=1S/C9H9Cl2NO4S/c1-2-16-9(13)5-3-8(17(12,14)15)7(11)4-6(5)10/h3-4H,2H2,1H3,(H2,12,14,15)
InChI Key:
LSXBNLARBXRUOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.963g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.134g/mol
Monoisotopic Mass:
296.963g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties