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10335-55-4 | 1-Naphthalenol, 4-(2-benzothiazolylazo)-
CAS No: 10335-55-4 Catalog No: AG0085UH MDL No:
Product Description
Catalog Number:
AG0085UH
Chemical Name:
1-Naphthalenol, 4-(2-benzothiazolylazo)-
CAS Number:
10335-55-4
Molecular Formula:
C17H11N3OS
Molecular Weight:
305.3537
IUPAC Name:
4-(1,3-benzothiazol-2-yldiazenyl)naphthalen-1-ol
InChI:
InChI=1S/C17H11N3OS/c21-15-10-9-13(11-5-1-2-6-12(11)15)19-20-17-18-14-7-3-4-8-16(14)22-17/h1-10,21H
InChI Key:
PZDTWUPIIQCGCF-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1cccc2)N=Nc1nc2c(s1)cccc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.355g/mol
Monoisotopic Mass:
305.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of novel naphthoquinone derivatives as potential anticancer and antimicrobial agents. | Bollettino chimico farmaceutico 20041001 |
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