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63544-57-0 | 2-Butanone,4-(2-benzothiazolyl)-(7CI,9CI)
CAS No: 63544-57-0 Catalog No: AG00ER23 MDL No:
Product Description
Catalog Number:
AG00ER23
Chemical Name:
2-Butanone,4-(2-benzothiazolyl)-(7CI,9CI)
CAS Number:
63544-57-0
IUPAC Name:
4-(1,3-benzothiazol-2-yl)butan-2-one
InChI:
InChI=1S/C11H11NOS/c1-8(13)6-7-11-12-9-4-2-3-5-10(9)14-11/h2-5H,6-7H2,1H3
InChI Key:
UWHDITZVVQPEAX-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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