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120-68-3 | Benzenesulfonic acid, 4-[2-(4-amino-3-methylphenyl)diazenyl]-3-methyl-
CAS No: 120-68-3 Catalog No: AG000Q1R MDL No:
Product Description
Catalog Number:
AG000Q1R
Chemical Name:
Benzenesulfonic acid, 4-[2-(4-amino-3-methylphenyl)diazenyl]-3-methyl-
CAS Number:
120-68-3
Molecular Formula:
C14H15N3O3S
Molecular Weight:
305.3522
IUPAC Name:
4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
InChI:
InChI=1S/C14H15N3O3S/c1-9-7-11(3-5-13(9)15)16-17-14-6-4-12(8-10(14)2)21(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)
InChI Key:
OLDIJSAKWOOHRZ-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1N=Nc1ccc(c(c1)C)N)S(=O)(=O)O
EC Number:
204-417-0
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.352g/mol
Monoisotopic Mass:
305.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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