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72889-11-3 | Benzothiazole, 3-acetyl-2-ethyl-2,3-dihydro- (9CI)
CAS No: 72889-11-3 Catalog No: AG00FJO7 MDL No:
Product Description
Catalog Number:
AG00FJO7
Chemical Name:
Benzothiazole, 3-acetyl-2-ethyl-2,3-dihydro- (9CI)
CAS Number:
72889-11-3
IUPAC Name:
1-(2-ethyl-2H-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C11H13NOS/c1-3-11-12(8(2)13)9-6-4-5-7-10(9)14-11/h4-7,11H,3H2,1-2H3
InChI Key:
WESRXQYRDMJEQI-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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