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1248500-70-0 | Ethyl 2-[(2,5-dichlorophenyl)sulfanyl]propanoate
CAS No: 1248500-70-0 Catalog No: AG01F9GO MDL No:MFCD16045042
Product Description
Catalog Number:
AG01F9GO
Chemical Name:
Ethyl 2-[(2,5-dichlorophenyl)sulfanyl]propanoate
CAS Number:
1248500-70-0
Molecular Formula:
C11H12Cl2O2S
Molecular Weight:
279.1828
MDL Number:
MFCD16045042
IUPAC Name:
ethyl 2-(2,5-dichlorophenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H12Cl2O2S/c1-3-15-11(14)7(2)16-10-6-8(12)4-5-9(10)13/h4-7H,3H2,1-2H3
InChI Key:
HBRSXIYDHPJEGD-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC)Sc1cc(Cl)ccc1Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.175g/mol
Monoisotopic Mass:
277.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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