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830345-84-1 | 2-Propen-1-one, 1-(2,6-dichlorophenyl)-3-phenyl-3-(phenylthio)-, (2E)-
CAS No: 830345-84-1 Catalog No: AG005CNI MDL No:
Product Description
Catalog Number:
AG005CNI
Chemical Name:
2-Propen-1-one, 1-(2,6-dichlorophenyl)-3-phenyl-3-(phenylthio)-, (2E)-
CAS Number:
830345-84-1
Molecular Formula:
C21H14Cl2OS
Molecular Weight:
385.3063
IUPAC Name:
1-(2,6-dichlorophenyl)-3-phenyl-3-phenylsulfanylprop-2-en-1-one
InChI:
InChI=1S/C21H14Cl2OS/c22-17-12-7-13-18(23)21(17)19(24)14-20(15-8-3-1-4-9-15)25-16-10-5-2-6-11-16/h1-14H
InChI Key:
UNEVJBRSLCPZHM-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)/C=C(\c1ccccc1)/Sc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.014g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.302g/mol
Monoisotopic Mass:
384.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.8
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