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79481-74-6 | Benzenediazonium, 4-bromo-, sulfate (1:1)
CAS No: 79481-74-6 Catalog No: AG0051TH MDL No:
Product Description
Catalog Number:
AG0051TH
Chemical Name:
Benzenediazonium, 4-bromo-, sulfate (1:1)
CAS Number:
79481-74-6
Molecular Formula:
C6H5BrN2O4S
Molecular Weight:
281.0839
IUPAC Name:
4-bromobenzenediazonium;hydrogen sulfate
InChI:
InChI=1S/C6H4BrN2.H2O4S/c7-5-1-3-6(9-8)4-2-5;1-5(2,3)4/h1-4H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
YJSKSMHGLPYCBW-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.Brc1ccc(cc1)[N+]#N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.915g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.08g/mol
Monoisotopic Mass:
279.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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