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7402-71-3 | 3-(2,4-DICHLOROPHENYL)-1-(2-THIENYL)-2-PROPEN-1-ONE
CAS No: 7402-71-3 Catalog No: AG005A1K MDL No:
Product Description
Catalog Number:
AG005A1K
Chemical Name:
3-(2,4-DICHLOROPHENYL)-1-(2-THIENYL)-2-PROPEN-1-ONE
CAS Number:
7402-71-3
Molecular Formula:
C13H8Cl2OS
Molecular Weight:
283.1730
IUPAC Name:
(E)-3-(2,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C13H8Cl2OS/c14-10-5-3-9(11(15)8-10)4-6-12(16)13-2-1-7-17-13/h1-8H/b6-4+
InChI Key:
QCHFKTJHJVDSFF-GQCTYLIASA-N
SMILES:
Clc1ccc(c(c1)Cl)C=CC(=O)c1cccs1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.166g/mol
Monoisotopic Mass:
281.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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