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80997-88-2 | 4-((4-Aminophenyl)amino)benzenediazonium hydrogen sulphate
CAS No: 80997-88-2 Catalog No: AG0056MF MDL No:
Product Description
Catalog Number:
AG0056MF
Chemical Name:
4-((4-Aminophenyl)amino)benzenediazonium hydrogen sulphate
CAS Number:
80997-88-2
Molecular Formula:
C12H12N4O4S
Molecular Weight:
308.3131
IUPAC Name:
4-(4-aminoanilino)benzenediazonium;hydrogen sulfate
InChI:
InChI=1S/C12H10N4.H2O4S/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11;1-5(2,3)4/h1-8,13-14H;(H2,1,2,3,4)
InChI Key:
AOQGDHBDOBGLHI-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.N#[N+]c1ccc(cc1)Nc1ccc(cc1)N
EC Number:
279-647-8
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.312g/mol
Monoisotopic Mass:
308.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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