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29107-85-5 | Ethyl 4-(4-Chlorophenyl)sulfanylbutanoate
CAS No: 29107-85-5 Catalog No: AG01FBQ5 MDL No:MFCD24740742
Product Description
Catalog Number:
AG01FBQ5
Chemical Name:
Ethyl 4-(4-Chlorophenyl)sulfanylbutanoate
CAS Number:
29107-85-5
Molecular Formula:
C12H15ClO2S
Molecular Weight:
258.7643
MDL Number:
MFCD24740742
IUPAC Name:
ethyl 4-(4-chlorophenyl)sulfanylbutanoate
InChI:
InChI=1S/C12H15ClO2S/c1-2-15-12(14)4-3-9-16-11-7-5-10(13)6-8-11/h5-8H,2-4,9H2,1H3
InChI Key:
HODNBGXAXJIWTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCSc1ccc(cc1)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.76g/mol
Monoisotopic Mass:
258.048g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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