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1249910-63-1 | Ethyl 2-(2-Chlorophenyl)sulfanylpropanoate
CAS No: 1249910-63-1 Catalog No: AG01FB7E MDL No:MFCD16045041
Product Description
Catalog Number:
AG01FB7E
Chemical Name:
Ethyl 2-(2-Chlorophenyl)sulfanylpropanoate
CAS Number:
1249910-63-1
Molecular Formula:
C11H13ClO2S
Molecular Weight:
244.7377
MDL Number:
MFCD16045041
IUPAC Name:
ethyl 2-(2-chlorophenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H13ClO2S/c1-3-14-11(13)8(2)15-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3
InChI Key:
IJBCCBCQHSHFST-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccccc1Cl)C
Properties
Complexity:
211
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:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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