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101-89-3 | Benzenediazonium, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-, sulfate (1:1)
CAS No: 101-89-3 Catalog No: AG0003GU MDL No:MFCD00011883
Product Description
Catalog Number:
AG0003GU
Chemical Name:
Benzenediazonium, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-, sulfate (1:1)
CAS Number:
101-89-3
Molecular Formula:
C14H14N4O4S
Molecular Weight:
334.3504
MDL Number:
MFCD00011883
IUPAC Name:
hydrogen sulfate;2-methyl-4-[(2-methylphenyl)diazenyl]benzenediazonium
InChI:
InChI=1S/C14H13N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
PPTXFSQSISUDAU-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.N#[N+]c1ccc(cc1C)N=Nc1ccccc1C
EC Number:
202-985-4
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.35g/mol
Monoisotopic Mass:
334.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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