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29377-89-7 | Benzenediazonium, 2-methoxy-4-(phenylamino)-, sulfate (2:1)
CAS No: 29377-89-7 Catalog No: AG002Y82 MDL No:
Product Description
Catalog Number:
AG002Y82
Chemical Name:
Benzenediazonium, 2-methoxy-4-(phenylamino)-, sulfate (2:1)
CAS Number:
29377-89-7
Molecular Formula:
C26H24N6O6S
Molecular Weight:
548.5704
IUPAC Name:
4-anilino-2-methoxybenzenediazonium;sulfate
InChI:
InChI=1S/2C13H12N3O.H2O4S/c2*1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2*2-9,15H,1H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
GURASQVBMXLPMC-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)[O-].COc1cc(ccc1[N+]#N)Nc1ccccc1.COc1cc(ccc1[N+]#N)Nc1ccccc1
EC Number:
249-589-8
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.148g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
548.574g/mol
Monoisotopic Mass:
548.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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