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951886-93-4 | Ethyl 6-(2-Chloro-4-(methylthio)phenyl)-6-oxohexanoate
CAS No: 951886-93-4 Catalog No: AG01F84M MDL No:
Product Description
Catalog Number:
AG01F84M
Chemical Name:
Ethyl 6-(2-Chloro-4-(methylthio)phenyl)-6-oxohexanoate
CAS Number:
951886-93-4
Molecular Formula:
C15H19ClO3S
Molecular Weight:
314.8276
IUPAC Name:
ethyl 6-(2-chloro-4-methylsulfanylphenyl)-6-oxohexanoate
InChI:
InChI=1S/C15H19ClO3S/c1-3-19-15(18)7-5-4-6-14(17)12-9-8-11(20-2)10-13(12)16/h8-10H,3-7H2,1-2H3
InChI Key:
YIMOTTGRANEVLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1ccc(cc1Cl)SC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.824g/mol
Monoisotopic Mass:
314.074g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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