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10213-99-7 | Benzenesulfonic acid, 4-[2-(4-amino-3-methylphenyl)diazenyl]-3-methyl-, sodium salt (1:1)
CAS No: 10213-99-7 Catalog No: AG0006PY MDL No:
Product Description
Catalog Number:
AG0006PY
Chemical Name:
Benzenesulfonic acid, 4-[2-(4-amino-3-methylphenyl)diazenyl]-3-methyl-, sodium salt (1:1)
CAS Number:
10213-99-7
Molecular Formula:
C14H14N3NaO3S
Molecular Weight:
327.3340
IUPAC Name:
sodium;4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonate
InChI:
InChI=1S/C14H15N3O3S.Na/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);/q;+1/p-1
InChI Key:
CKZGHZKZVVYPFS-UHFFFAOYSA-M
SMILES:
Cc1cc(ccc1N=Nc1ccc(c(c1)C)N)S(=O)(=O)[O-].[Na+]
EC Number:
233-522-4
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.334g/mol
Monoisotopic Mass:
327.065g/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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