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23522-66-9 | Benzenepropanoic acid, 2,2,2-trifluoroethyl ester
CAS No: 23522-66-9 Catalog No: AG002NKY MDL No:MFCD28505964
Product Description
Catalog Number:
AG002NKY
Chemical Name:
Benzenepropanoic acid, 2,2,2-trifluoroethyl ester
CAS Number:
23522-66-9
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD28505964
IUPAC Name:
2,2,2-trifluoroethyl 3-phenylpropanoate
InChI:
InChI=1S/C11H11F3O2/c12-11(13,14)8-16-10(15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
APDSSBSNPWIOQN-UHFFFAOYSA-N
SMILES:
O=C(OCC(F)(F)F)CCc1ccccc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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