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825645-04-3 | Benzeneacetic acid, 3-(trifluoromethoxy)-, ethyl ester
CAS No: 825645-04-3 Catalog No: AG004Y3F MDL No:MFCD12964231
Product Description
Catalog Number:
AG004Y3F
Chemical Name:
Benzeneacetic acid, 3-(trifluoromethoxy)-, ethyl ester
CAS Number:
825645-04-3
Molecular Formula:
C11H11F3O3
Molecular Weight:
248.1984
MDL Number:
MFCD12964231
IUPAC Name:
ethyl 2-[3-(trifluoromethoxy)phenyl]acetate
InChI:
InChI=1S/C11H11F3O3/c1-2-16-10(15)7-8-4-3-5-9(6-8)17-11(12,13)14/h3-6H,2,7H2,1H3
InChI Key:
AOTONCKRHBEQBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.201g/mol
Monoisotopic Mass:
248.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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