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108717-10-8 | (2E,4Z)-4-(3-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
CAS No: 108717-10-8 Catalog No: AG009OBQ MDL No:
Product Description
Catalog Number:
AG009OBQ
Chemical Name:
(2E,4Z)-4-(3-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
CAS Number:
108717-10-8
IUPAC Name:
(E,4Z)-4-(3-methyl-1,3-benzothiazol-2-ylidene)-1-phenylbut-2-en-1-one
InChI:
InChI=1S/C18H15NOS/c1-19-15-10-5-6-12-17(15)21-18(19)13-7-11-16(20)14-8-3-2-4-9-14/h2-13H,1H3/b11-7+,18-13-
InChI Key:
XYCAKVQNHCQGSC-KHFJBXOGSA-N
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.384g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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