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84033-07-8 | Benzothiazole, 2-(4-ethynylphenyl)-
CAS No: 84033-07-8 Catalog No: AG004Q5J MDL No:
Product Description
Catalog Number:
AG004Q5J
Chemical Name:
Benzothiazole, 2-(4-ethynylphenyl)-
CAS Number:
84033-07-8
Molecular Formula:
C15H9NS
Molecular Weight:
235.3037
IUPAC Name:
2-(4-ethynylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H9NS/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h1,3-10H
InChI Key:
HZQZCYKCNPJNMR-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
310
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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