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137865-99-7 | Benzenediazonium, 2-methoxy-4-(phenylamino)-, sulfite(2-) (2:1)
CAS No: 137865-99-7 Catalog No: AG0013ZT MDL No:
Product Description
Catalog Number:
AG0013ZT
Chemical Name:
Benzenediazonium, 2-methoxy-4-(phenylamino)-, sulfite(2-) (2:1)
CAS Number:
137865-99-7
Molecular Formula:
C26H24N6O5S
Molecular Weight:
532.5710
IUPAC Name:
4-anilino-2-methoxybenzenediazonium;sulfite
InChI:
InChI=1S/2C13H12N3O.H2O3S/c2*1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-4(2)3/h2*2-9,15H,1H3;(H2,1,2,3)/q2*+1;/p-2
InChI Key:
XWXWYKLUDFCPAM-UHFFFAOYSA-L
SMILES:
[O-]S(=O)[O-].COc1cc(ccc1[N+]#N)Nc1ccccc1.COc1cc(ccc1[N+]#N)Nc1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.153g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
532.575g/mol
Monoisotopic Mass:
532.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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