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37554-60-2 | 2-Phenyl-5-acetylbenzothiazole
CAS No: 37554-60-2 Catalog No: AG00D39V MDL No:
Product Description
Catalog Number:
AG00D39V
Chemical Name:
2-Phenyl-5-acetylbenzothiazole
CAS Number:
37554-60-2
IUPAC Name:
1-(2-phenyl-1,3-benzothiazol-5-yl)ethanone
InChI:
InChI=1S/C15H11NOS/c1-10(17)12-7-8-14-13(9-12)16-15(18-14)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
VMFVHQCMVQSENS-UHFFFAOYSA-N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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