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951887-01-7 | Ethyl 8-(2-Chloro-4-(methylthio)phenyl)-8-oxooctanoate
CAS No: 951887-01-7 Catalog No: AG01F84N MDL No:
Product Description
Catalog Number:
AG01F84N
Chemical Name:
Ethyl 8-(2-Chloro-4-(methylthio)phenyl)-8-oxooctanoate
CAS Number:
951887-01-7
Molecular Formula:
C17H23ClO3S
Molecular Weight:
342.8807
IUPAC Name:
ethyl 8-(2-chloro-4-methylsulfanylphenyl)-8-oxooctanoate
InChI:
InChI=1S/C17H23ClO3S/c1-3-21-17(20)9-7-5-4-6-8-16(19)14-11-10-13(22-2)12-15(14)18/h10-12H,3-9H2,1-2H3
InChI Key:
JDDUAKVCGRQAIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1Cl)SC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.878g/mol
Monoisotopic Mass:
342.106g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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