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137446-81-2 | Propanoic acid, 3-[(4-chlorophenyl)thio]-, ethyl ester
CAS No: 137446-81-2 Catalog No: AG0013A0 MDL No:MFCD00176975
Product Description
Catalog Number:
AG0013A0
Chemical Name:
Propanoic acid, 3-[(4-chlorophenyl)thio]-, ethyl ester
CAS Number:
137446-81-2
Molecular Formula:
C11H13ClO2S
Molecular Weight:
244.7377
MDL Number:
MFCD00176975
IUPAC Name:
ethyl 3-(4-chlorophenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H13ClO2S/c1-2-14-11(13)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChI Key:
BRFZXJHTDVXXFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCSc1ccc(cc1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.733g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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