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1443328-65-1 | Ethyl 2-(3-chlorophenyl)sulfanyl-2-oxo-acetate
CAS No: 1443328-65-1 Catalog No: AG01FA4A MDL No:
Product Description
Catalog Number:
AG01FA4A
Chemical Name:
Ethyl 2-(3-chlorophenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443328-65-1
Molecular Formula:
C10H9ClO3S
Molecular Weight:
244.6947
IUPAC Name:
ethyl 2-(3-chlorophenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C10H9ClO3S/c1-2-14-9(12)10(13)15-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChI Key:
NJYUWVNBXFJUAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cccc(c1)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.689g/mol
Monoisotopic Mass:
243.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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