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67508-90-1 | Phenol, 2-(2-benzothiazolylazo)-4,5-dimethyl-
CAS No: 67508-90-1 Catalog No: AG006G3Y MDL No:
Product Description
Catalog Number:
AG006G3Y
Chemical Name:
Phenol, 2-(2-benzothiazolylazo)-4,5-dimethyl-
CAS Number:
67508-90-1
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
IUPAC Name:
2-(1,3-benzothiazol-2-yldiazenyl)-4,5-dimethylphenol
InChI:
InChI=1S/C15H13N3OS/c1-9-7-12(13(19)8-10(9)2)17-18-15-16-11-5-3-4-6-14(11)20-15/h3-8,19H,1-2H3
InChI Key:
ZNCZWVJELPQOIY-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1N=Nc1nc2c(s1)cccc2)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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