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84043-03-8 | Benzothiazole, 5-ethynyl-2-phenyl-
CAS No: 84043-03-8 Catalog No: AG004Q3W MDL No:
Product Description
Catalog Number:
AG004Q3W
Chemical Name:
Benzothiazole, 5-ethynyl-2-phenyl-
CAS Number:
84043-03-8
Molecular Formula:
C15H9NS
Molecular Weight:
235.3037
IUPAC Name:
5-ethynyl-2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C15H9NS/c1-2-11-8-9-14-13(10-11)16-15(17-14)12-6-4-3-5-7-12/h1,3-10H
InChI Key:
VZDPJACBWQMGLO-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)nc(s2)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.304g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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