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951886-89-8 | Ethyl 5-[2-Chloro-4-(methylthio)phenyl]-5-oxovalerate
CAS No: 951886-89-8 Catalog No: AG01F8DM MDL No:
Product Description
Catalog Number:
AG01F8DM
Chemical Name:
Ethyl 5-[2-Chloro-4-(methylthio)phenyl]-5-oxovalerate
CAS Number:
951886-89-8
Molecular Formula:
C14H17ClO3S
Molecular Weight:
300.8010
IUPAC Name:
ethyl 5-(2-chloro-4-methylsulfanylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17ClO3S/c1-3-18-14(17)6-4-5-13(16)11-8-7-10(19-2)9-12(11)15/h7-9H,3-6H2,1-2H3
InChI Key:
KCMQFGOYOAKXCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1Cl)SC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.797g/mol
Monoisotopic Mass:
300.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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