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116227-86-2

116227-86-2 | 2-Propen-1-one, 1-phenyl-3-(2-phenyl-4-thiazolyl)-

CAS No: 116227-86-2 Catalog No: AG000BZC MDL No:

Product Description

Catalog Number:
AG000BZC
Chemical Name:
2-Propen-1-one, 1-phenyl-3-(2-phenyl-4-thiazolyl)-
CAS Number:
116227-86-2
Molecular Formula:
C18H13NOS
Molecular Weight:
291.3669
IUPAC Name:
1-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one
InChI:
InChI=1S/C18H13NOS/c20-17(14-7-3-1-4-8-14)12-11-16-13-21-18(19-16)15-9-5-2-6-10-15/h1-13H
InChI Key:
LEDCZKLWQJHQPE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=Cc1csc(n1)c1ccccc1

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.072g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.368g/mol
Monoisotopic Mass:
291.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.4  

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