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123768-43-4 | Benzothiazole, 2,3-dihydro-3-methyl-2-(phenylethynyl)- (9CI)
CAS No: 123768-43-4 Catalog No: AG00A3TL MDL No:
Product Description
Catalog Number:
AG00A3TL
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2-(phenylethynyl)- (9CI)
CAS Number:
123768-43-4
IUPAC Name:
3-methyl-2-(2-phenylethynyl)-2H-1,3-benzothiazole
InChI:
InChI=1S/C16H13NS/c1-17-14-9-5-6-10-15(14)18-16(17)12-11-13-7-3-2-4-8-13/h2-10,16H,1H3
InChI Key:
OSJOSCFNEDRURF-UHFFFAOYSA-N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.347g/mol
Monoisotopic Mass:
251.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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