Compound C21H15ClN8Na2O7S2

disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate

CAS: 4988-30-1

Molecular Formula	`C21H15ClN8Na2O7S2`
Molecular Weight	637.0 g/mol
Topological Polar Surface Area	262.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	5
Exact Mass	635.9989
Heavy Atoms	41
Complexity	1090.0

Chemical Identifiers

CAS Number	4988-30-1
SMILES	`CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+]`
InChIKey	`DIGXDNVEYLOEOT-UHFFFAOYSA-L`

📖 Product Overview

Compound C21H15ClN8Na2O7S2 (CAS: 4988-30-1) is a chemical compound with molecular formula C21H15ClN8Na2O7S2 and molecular weight 637.0 g/mol. Its IUPAC systematic name is disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate. Topological Polar Surface Area 262.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 14 Rotatable Bonds 5 Exact Mass 635.9989 Heavy Atoms 41 Complexity 1090.0 InChI Key: DIGXDNVEYLOEOT-UHFFFAOYSA-L. SMILES: CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+].

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