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236737-95-4 | Benzothiazole, 6-bromo-2-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS No: 236737-95-4 Catalog No: AG002O3S MDL No:
Product Description
Catalog Number:
AG002O3S
Chemical Name:
Benzothiazole, 6-bromo-2-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS Number:
236737-95-4
Molecular Formula:
C19H13BrN6S
Molecular Weight:
437.3157
IUPAC Name:
N-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-4-phenyldiazenylaniline
InChI:
InChI=1S/C19H13BrN6S/c20-13-6-11-17-18(12-13)27-19(21-17)25-26-24-16-9-7-15(8-10-16)23-22-14-4-2-1-3-5-14/h1-12H,(H,21,24,25)
InChI Key:
HKDGVZTXBHXPPP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)NN=Nc1ccc(cc1)N=Nc1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.011g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.319g/mol
Monoisotopic Mass:
436.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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