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114049-74-0 | Ethanone, 2-chloro-1-[2,3':4',2''-terthiophen]-5-yl- (9CI)
CAS No: 114049-74-0 Catalog No: AG000AEM MDL No:
Product Description
Catalog Number:
AG000AEM
Chemical Name:
Ethanone, 2-chloro-1-[2,3':4',2''-terthiophen]-5-yl- (9CI)
CAS Number:
114049-74-0
Molecular Formula:
C14H9ClOS3
Molecular Weight:
324.8687
IUPAC Name:
2-chloro-1-[5-(4-thiophen-2-ylthiophen-3-yl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C14H9ClOS3/c15-6-11(16)14-4-3-13(19-14)10-8-17-7-9(10)12-2-1-5-18-12/h1-5,7-8H,6H2
InChI Key:
IWEIQPAKRSKRKM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(s1)c1cscc1c1cccs1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.95g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.855g/mol
Monoisotopic Mass:
323.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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