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Benzenesulfonic acid,4-[2-(4-amino-1-naphthalenyl)diazenyl]-, sodium salt (1:1) 5399-85-9 C16H13 N3 O3 S . Na
Identification and Related Records
【Name】
Benzenesulfonic acid,4-[2-(4-amino-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
【Iupac name】
sodium 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid
【CAS Registry number】
5399-85-9
【Synonyms】
Benzenesulfonicacid, 4-[(4-amino-1-naphthalenyl)azo]-, monosodium salt (9CI)
Benzenesulfonicacid, p-[(4-amino-1-naphthyl)azo]-, sodium salt (8CI)
【EINECS(EC#)】
226-437-9
【Molecular Formula】
C16H13 N3 O3 S . Na (Products with the same molecular formula)
【Molecular Weight】
349.33955
【Inchi】
InChI=1/C16H13N3O3S.Na/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1/b19-18+;
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)N.[Na+]
【MOL File】
5399-85-9.mol
Chemical and Physical Properties
【Density】
1.43g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:350.34749 [g/mol]
Molecular Formula:C16H13N3NaO3S+
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:350.057532
MonoIsotopic Mass:350.057532
Topological Polar Surface Area:114
Heavy Atom Count:24
Formal Charge:1
Complexity:523
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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