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Home > Nitro Compounds > 72152-44-4
72152-44-4 | Benzenediazonium, 5-methoxy-4-methyl-2-((2-(methylsulfonyl)-4-nitrophenyl)azo)-, sulfate (1:1)
CAS No: 72152-44-4 Catalog No: AG005JSY MDL No:
Product Description
Catalog Number:
AG005JSY
Chemical Name:
Benzenediazonium, 5-methoxy-4-methyl-2-((2-(methylsulfonyl)-4-nitrophenyl)azo)-, sulfate (1:1)
CAS Number:
72152-44-4
Molecular Formula:
C15H15N5O9S2
Molecular Weight:
473.4377
IUPAC Name:
5-methoxy-4-methyl-2-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]benzenediazonium;sulfate
InChI:
InChI=1S/C15H14N5O5S.H2O4S/c1-9-6-13(12(17-16)8-14(9)25-2)19-18-11-5-4-10(20(21)22)7-15(11)26(3,23)24;1-5(2,3)4/h4-8H,1-3H3;(H2,1,2,3,4)/q+1;/p-2
InChI Key:
JGDHHRQPMONWPG-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)O.N#[N+]c1cc(OC)c(cc1N=Nc1ccc(cc1S(=O)(=O)C)[N+](=O)[O-])C
EC Number:
276-398-7
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.023g/mol
Formal Charge:
-1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.423g/mol
Monoisotopic Mass:
472.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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