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133044-37-8 | 2(3H)-Benzothiazolone,6-(1-oxobutyl)-(9CI)
CAS No: 133044-37-8 Catalog No: AG00AH0N MDL No:
Product Description
Catalog Number:
AG00AH0N
Chemical Name:
2(3H)-Benzothiazolone,6-(1-oxobutyl)-(9CI)
CAS Number:
133044-37-8
IUPAC Name:
6-butanoyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C11H11NO2S/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6H,2-3H2,1H3,(H,12,14)
InChI Key:
RJEMKWUVHPKVQI-UHFFFAOYSA-N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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