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Home > Fluorides > 192460-61-0
192460-61-0 | Benzoic acid, 3-(trifluoromethoxy)-, 4-(pentyloxy)phenyl ester
CAS No: 192460-61-0 Catalog No: AG002G04 MDL No:
Product Description
Catalog Number:
AG002G04
Chemical Name:
Benzoic acid, 3-(trifluoromethoxy)-, 4-(pentyloxy)phenyl ester
CAS Number:
192460-61-0
Molecular Formula:
C19H19F3O4
Molecular Weight:
368.3470
IUPAC Name:
(4-pentoxyphenyl) 3-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C19H19F3O4/c1-2-3-4-12-24-15-8-10-16(11-9-15)25-18(23)14-6-5-7-17(13-14)26-19(20,21)22/h5-11,13H,2-4,12H2,1H3
InChI Key:
WYZVGXBNGGSHIR-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)OC(=O)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.352g/mol
Monoisotopic Mass:
368.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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