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951886-85-4 | Ethyl 4-(2-Chloro-4-(methylthio)phenyl)-4-oxobutanoate
CAS No: 951886-85-4 Catalog No: AG01F84L MDL No:
Product Description
Catalog Number:
AG01F84L
Chemical Name:
Ethyl 4-(2-Chloro-4-(methylthio)phenyl)-4-oxobutanoate
CAS Number:
951886-85-4
Molecular Formula:
C13H15ClO3S
Molecular Weight:
286.7744
IUPAC Name:
ethyl 4-(2-chloro-4-methylsulfanylphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H15ClO3S/c1-3-17-13(16)7-6-12(15)10-5-4-9(18-2)8-11(10)14/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
QQINEMKKDYRFHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1Cl)SC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.77g/mol
Monoisotopic Mass:
286.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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