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113560-77-3 | Benzenediazonium, 4-[[(ethoxycarbonyl)amino]sulfonyl]-
CAS No: 113560-77-3 Catalog No: AG0008ZZ MDL No:
Product Description
Catalog Number:
AG0008ZZ
Chemical Name:
Benzenediazonium, 4-[[(ethoxycarbonyl)amino]sulfonyl]-
CAS Number:
113560-77-3
Molecular Formula:
C9H10N3O4S+
Molecular Weight:
256.2584
IUPAC Name:
4-(ethoxycarbonylsulfamoyl)benzenediazonium
InChI:
InChI=1S/C9H9N3O4S/c1-2-16-9(13)12-17(14,15)8-5-3-7(11-10)4-6-8/h3-6H,2H2,1H3/p+1
InChI Key:
CPCGYFIFXQVMTL-UHFFFAOYSA-O
SMILES:
CCOC(=O)NS(=O)(=O)c1ccc(cc1)[N+]#N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.039g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.256g/mol
Monoisotopic Mass:
256.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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