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Home > Pyridines > 820245-43-0
820245-43-0 | 4-Ethoxy-3-(3-pyridin-3-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
CAS No: 820245-43-0 Catalog No: AG01EXJ5 MDL No:
Product Description
Catalog Number:
AG01EXJ5
Chemical Name:
4-Ethoxy-3-(3-pyridin-3-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
CAS Number:
820245-43-0
Molecular Formula:
C14H16ClN3O8S2
Molecular Weight:
453.8751
IUPAC Name:
4-ethoxy-3-(pyridin-3-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
InChI:
InChI=1S/C14H14ClN3O4S.H2O4S/c1-2-22-13-6-5-11(23(15,20)21)8-12(13)18-14(19)17-10-4-3-7-16-9-10;1-5(2,3)4/h3-9H,2H2,1H3,(H2,17,18,19);(H2,1,2,3,4)
InChI Key:
MQCUZSAQXFDCJK-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.CCOc1ccc(cc1NC(=O)Nc1ccc[nH+]c1)S(=O)(=O)Cl
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.007g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
453.865g/mol
Monoisotopic Mass:
453.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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