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88125-17-1 | 2,7-Naphthalenediol, 1-(2-thiazolylazo)-
CAS No: 88125-17-1 Catalog No: AG004FI5 MDL No:
Product Description
Catalog Number:
AG004FI5
Chemical Name:
2,7-Naphthalenediol, 1-(2-thiazolylazo)-
CAS Number:
88125-17-1
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
IUPAC Name:
1-(1,3-thiazol-2-yldiazenyl)naphthalene-2,7-diol
InChI:
InChI=1S/C13H9N3O2S/c17-9-3-1-8-2-4-11(18)12(10(8)7-9)15-16-13-14-5-6-19-13/h1-7,17-18H
InChI Key:
UOKMORIFUHUNHE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(N=Nc1nccs1)c(cc2)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.294g/mol
Monoisotopic Mass:
271.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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