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28467-51-8 | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-(2-thiazolyl)diazenyl]-
CAS No: 28467-51-8 Catalog No: AG002VE9 MDL No:
Product Description
Catalog Number:
AG002VE9
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-(2-thiazolyl)diazenyl]-
CAS Number:
28467-51-8
Molecular Formula:
C13H9N3O8S3
Molecular Weight:
431.4209
IUPAC Name:
4,5-dihydroxy-3-(1,3-thiazol-2-yldiazenyl)naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C13H9N3O8S3/c17-8-5-7(26(19,20)21)3-6-4-9(27(22,23)24)11(12(18)10(6)8)15-16-13-14-1-2-25-13/h1-5,17-18H,(H,19,20,21)(H,22,23,24)
InChI Key:
KHGPMRVVIQLMRE-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1nccs1)S(=O)(=O)O
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.955g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
431.408g/mol
Monoisotopic Mass:
430.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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