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163978-51-6 | Benzenepropanoic acid, 3,5-difluoro-, ethyl ester
CAS No: 163978-51-6 Catalog No: AG001UKW MDL No:
Product Description
Catalog Number:
AG001UKW
Chemical Name:
Benzenepropanoic acid, 3,5-difluoro-, ethyl ester
CAS Number:
163978-51-6
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
ethyl 3-(3,5-difluorophenyl)propanoate
InChI:
InChI=1S/C11H12F2O2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3
InChI Key:
RJPFVVQBZAJMKV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cc(F)cc(c1)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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