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53115-00-7 | 2,6-BIS((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)CYCLOHEXANONE
CAS No: 53115-00-7 Catalog No: AG00DP6K MDL No:
Product Description
Catalog Number:
AG00DP6K
Chemical Name:
2,6-BIS((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)CYCLOHEXANONE
CAS Number:
53115-00-7
IUPAC Name:
2,6-bis[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclohexan-1-one
InChI:
InChI=1S/C28H28N2OS2/c1-3-29-22-12-5-7-14-24(22)32-26(29)18-16-20-10-9-11-21(28(20)31)17-19-27-30(4-2)23-13-6-8-15-25(23)33-27/h5-8,12-19H,3-4,9-11H2,1-2H3
InChI Key:
JIPAOFKZFLJOPW-UHFFFAOYSA-N
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.164g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.665g/mol
Monoisotopic Mass:
472.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
7.5
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