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Home > Fluorides > 136562-59-9
136562-59-9 | Benzoic acid, 4-[3-(trifluoromethyl)phenoxy]-, methyl ester
CAS No: 136562-59-9 Catalog No: AG00122B MDL No:
Product Description
Catalog Number:
AG00122B
Chemical Name:
Benzoic acid, 4-[3-(trifluoromethyl)phenoxy]-, methyl ester
CAS Number:
136562-59-9
Molecular Formula:
C15H11F3O3
Molecular Weight:
296.2412
IUPAC Name:
methyl 4-[3-(trifluoromethyl)phenoxy]benzoate
InChI:
InChI=1S/C15H11F3O3/c1-20-14(19)10-5-7-12(8-6-10)21-13-4-2-3-11(9-13)15(16,17)18/h2-9H,1H3
InChI Key:
JJQCNRYKPSJKSW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.245g/mol
Monoisotopic Mass:
296.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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