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87964-33-8 | Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
CAS No: 87964-33-8 Catalog No: AG01F9NK MDL No:MFCD28396333
Product Description
Catalog Number:
AG01F9NK
Chemical Name:
Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
CAS Number:
87964-33-8
Molecular Formula:
C12H10F6O3
Molecular Weight:
316.1964
MDL Number:
MFCD28396333
IUPAC Name:
ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate
InChI:
InChI=1S/C12H10F6O3/c1-2-20-10(19)6-21-9-4-7(11(13,14)15)3-8(5-9)12(16,17)18/h3-5H,2,6H2,1H3
InChI Key:
AOCYNFHGXQOVRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.199g/mol
Monoisotopic Mass:
316.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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