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Home > Pyridines > 811842-68-9
811842-68-9 | 4-(3-Pyridin-2-yl-ureido)benzenesulfonyl chloride hydrogen sulfate
CAS No: 811842-68-9 Catalog No: AG01EXI6 MDL No:
Product Description
Catalog Number:
AG01EXI6
Chemical Name:
4-(3-Pyridin-2-yl-ureido)benzenesulfonyl chloride hydrogen sulfate
CAS Number:
811842-68-9
Molecular Formula:
C12H12ClN3O7S2
Molecular Weight:
409.8226
IUPAC Name:
4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
InChI:
InChI=1S/C12H10ClN3O3S.H2O4S/c13-20(18,19)10-6-4-9(5-7-10)15-12(17)16-11-3-1-2-8-14-11;1-5(2,3)4/h1-8H,(H2,14,15,16,17);(H2,1,2,3,4)
InChI Key:
UOCVGAVRLQJTEL-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.O=C(Nc1cccc[nH+]1)Nc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.981g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
409.812g/mol
Monoisotopic Mass:
408.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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