Home Other Building Blocks 1,3-diethyl 2-(3-fluorophenyl)propanedioate

1,3-diethyl 2-(3-fluorophenyl)propanedioate

CAS No.:
400808-70-0
Catalog Number:
AG019TR4
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
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Product Description
Catalog Number:
AG019TR4
Chemical Name:
1,3-diethyl 2-(3-fluorophenyl)propanedioate
CAS Number:
400808-70-0
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
MDL Number:
MFCD17475904
IUPAC Name:
diethyl 2-(3-fluorophenyl)propanedioate
InChI:
InChI=1S/C13H15FO4/c1-3-17-12(15)11(13(16)18-4-2)9-6-5-7-10(14)8-9/h5-8,11H,3-4H2,1-2H3
InChI Key:
BCJJWYVQWSAHQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)F)C(=O)OCC
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties