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87964-39-4 | Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]-propionate
CAS No: 87964-39-4 Catalog No: AG01F8MU MDL No:MFCD28396340
Product Description
Catalog Number:
AG01F8MU
Chemical Name:
Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]-propionate
CAS Number:
87964-39-4
Molecular Formula:
C13H12F6O3
Molecular Weight:
330.2230
MDL Number:
MFCD28396340
IUPAC Name:
ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]propanoate
InChI:
InChI=1S/C13H12F6O3/c1-3-21-11(20)7(2)22-10-5-8(12(14,15)16)4-9(6-10)13(17,18)19/h4-7H,3H2,1-2H3
InChI Key:
XKTOWUXTSFHYKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.226g/mol
Monoisotopic Mass:
330.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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