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10214-07-0

10214-07-0 | Benzenesulfonic acid, 2,5-dichloro-4-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-, sodium salt (1:1)

CAS No: 10214-07-0 Catalog No: AG0006PX MDL No:

Product Description

Catalog Number:
AG0006PX
Chemical Name:
Benzenesulfonic acid, 2,5-dichloro-4-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-, sodium salt (1:1)
CAS Number:
10214-07-0
Molecular Formula:
C21H18Cl2N3NaO3S
Molecular Weight:
486.3467
IUPAC Name:
sodium;4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-2,5-dichlorobenzenesulfonate
InChI:
InChI=1S/C21H19Cl2N3O3S.Na/c1-2-26(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)24-25-20-12-19(23)21(13-18(20)22)30(27,28)29;/h3-13H,2,14H2,1H3,(H,27,28,29);/q;+1/p-1
InChI Key:
QVSLNIURVCPVKS-UHFFFAOYSA-M
SMILES:
CCN(c1ccc(cc1)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])Cc1ccccc1.[Na+]
EC Number:
233-524-5

Properties

Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.034g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.343g/mol
Monoisotopic Mass:
485.034g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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