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Home > Imidazoles > 108134-08-3
108134-08-3 | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(1H-imidazol-2-ylazo)-
CAS No: 108134-08-3 Catalog No: AG007V63 MDL No:
Product Description
Catalog Number:
AG007V63
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(1H-imidazol-2-ylazo)-
CAS Number:
108134-08-3
Molecular Formula:
C13H10N4O8S2
Molecular Weight:
414.3705
IUPAC Name:
4,5-dihydroxy-3-(1H-imidazol-2-yldiazenyl)naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C13H10N4O8S2/c18-8-5-7(26(20,21)22)3-6-4-9(27(23,24)25)11(12(19)10(6)8)16-17-13-14-1-2-15-13/h1-5,18-19H,(H,14,15)(H,20,21,22)(H,23,24,25)
InChI Key:
MOXZGVQRJCTVMM-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ncc[nH]1)S(=O)(=O)O
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.994g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
414.363g/mol
Monoisotopic Mass:
413.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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