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101931-20-8 | 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-
CAS No: 101931-20-8 Catalog No: AG0005Z3 MDL No:
Product Description
Catalog Number:
AG0005Z3
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3-[2-[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-
CAS Number:
101931-20-8
Molecular Formula:
C20H19Cl2N3O6S2
Molecular Weight:
532.4174
IUPAC Name:
3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C20H19Cl2N3O6S2/c21-8-10-25(11-9-22)16-6-4-14(5-7-16)23-24-15-12-18-17(20(13-15)33(29,30)31)2-1-3-19(18)32(26,27)28/h1-7,12-13H,8-11H2,(H,26,27,28)(H,29,30,31)
InChI Key:
AZKAYVZYOJQXRF-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O)CCCl
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.009g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
532.407g/mol
Monoisotopic Mass:
531.009g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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