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1443353-92-1 | Ethyl 2-(3-fluorophenyl)sulfanyl-2-oxo-acetate
CAS No: 1443353-92-1 Catalog No: AG01FA54 MDL No:
Product Description
Catalog Number:
AG01FA54
Chemical Name:
Ethyl 2-(3-fluorophenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443353-92-1
Molecular Formula:
C10H9FO3S
Molecular Weight:
228.2401
IUPAC Name:
ethyl 2-(3-fluorophenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C10H9FO3S/c1-2-14-9(12)10(13)15-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChI Key:
LRORYYCRSQFUHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cccc(c1)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.237g/mol
Monoisotopic Mass:
228.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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