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1443313-33-4 | Ethyl 2-(3,4-difluorophenyl)sulfanyl-2-oxo-acetate
CAS No: 1443313-33-4 Catalog No: AG01F92C MDL No:
Product Description
Catalog Number:
AG01F92C
Chemical Name:
Ethyl 2-(3,4-difluorophenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443313-33-4
Molecular Formula:
C10H8F2O3S
Molecular Weight:
246.2305
IUPAC Name:
ethyl 2-(3,4-difluorophenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C10H8F2O3S/c1-2-15-9(13)10(14)16-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChI Key:
XQDBOYUXKYDVHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1ccc(c(c1)F)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.228g/mol
Monoisotopic Mass:
246.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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