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49702-22-9 | 4-(5-Acetylbenzothiazol-2-yl)benzamide
CAS No: 49702-22-9 Catalog No: AG00DMFH MDL No:
Product Description
Catalog Number:
AG00DMFH
Chemical Name:
4-(5-Acetylbenzothiazol-2-yl)benzamide
CAS Number:
49702-22-9
IUPAC Name:
4-(5-acetyl-1,3-benzothiazol-2-yl)benzamide
InChI:
InChI=1S/C16H12N2O2S/c1-9(19)12-6-7-14-13(8-12)18-16(21-14)11-4-2-10(3-5-11)15(17)20/h2-8H,1H3,(H2,17,20)
InChI Key:
BQNBYMWITANTPB-UHFFFAOYSA-N
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.344g/mol
Monoisotopic Mass:
296.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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