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85187-24-2 | 4-Aminoazobenzene-4-sulfonic acid
CAS No: 85187-24-2 Catalog No: AG004QL8 MDL No:
Product Description
Catalog Number:
AG004QL8
Chemical Name:
4-Aminoazobenzene-4-sulfonic acid
CAS Number:
85187-24-2
Molecular Formula:
C6H9N3O3S
Molecular Weight:
203.2190
IUPAC Name:
potassium;4-[(4-aminophenyl)diazenyl]benzenesulfonate
InChI:
InChI=1S/C12H11N3O3S.K/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1
InChI Key:
AWSNBLMLYDFJLF-UHFFFAOYSA-M
SMILES:
NN=NC1(CC=CC=C1)S(=O)(=O)O
EC Number:
286-112-2
UNII:
004014XD9S
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.388g/mol
Monoisotopic Mass:
315.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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