Home Other Building Blocks ethyl 2-(3-fluorobenzenesulfinyl)propanoate

ethyl 2-(3-fluorobenzenesulfinyl)propanoate

CAS No.:
1525601-27-7
Catalog Number:
AG01AMYI
Molecular Formula:
C11H13FO3S
Molecular Weight:
244.2825
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Product Description
Catalog Number:
AG01AMYI
Chemical Name:
ethyl 2-(3-fluorobenzenesulfinyl)propanoate
CAS Number:
1525601-27-7
Molecular Formula:
C11H13FO3S
Molecular Weight:
244.2825
MDL Number:
MFCD23825963
IUPAC Name:
ethyl 2-(3-fluorophenyl)sulfinylpropanoate
InChI:
InChI=1S/C11H13FO3S/c1-3-15-11(13)8(2)16(14)10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3
InChI Key:
DIWMVFOEINFNCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S(=O)c1cccc(c1)F)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.28g/mol
Monoisotopic Mass:
244.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties