Compound C20H19Cl2N3O6S2

3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid

CAS: 101931-20-8

Molecular Formula	`C20H19Cl2N3O6S2`
Molecular Weight	532.4 g/mol
LogP	3.7
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	531.0092
Heavy Atoms	33
Complexity	863.0

Chemical Identifiers

CAS Number	101931-20-8
SMILES	`C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)C(=C1)S(=O)(=O)O`
InChIKey	`AZKAYVZYOJQXRF-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H19Cl2N3O6S2 (CAS: 101931-20-8) is a chemical compound with molecular formula C20H19Cl2N3O6S2 and molecular weight 532.4 g/mol. Its IUPAC systematic name is 3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid. LogP 3.7 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 9 Exact Mass 531.0092 Heavy Atoms 33 Complexity 863.0 InChI Key: AZKAYVZYOJQXRF-UHFFFAOYSA-N. SMILES: C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)C(=C1)S(=O)(=O)O.

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