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Home > Fluorides > 821769-97-5
821769-97-5 | Benzoic acid, 4-[3-(trifluoromethyl)-2-benzofuranyl]-, ethyl ester
CAS No: 821769-97-5 Catalog No: AG004VRX MDL No:
Product Description
Catalog Number:
AG004VRX
Chemical Name:
Benzoic acid, 4-[3-(trifluoromethyl)-2-benzofuranyl]-, ethyl ester
CAS Number:
821769-97-5
Molecular Formula:
C18H13F3O3
Molecular Weight:
334.2892
IUPAC Name:
ethyl 4-[3-(trifluoromethyl)-1-benzofuran-2-yl]benzoate
InChI:
InChI=1S/C18H13F3O3/c1-2-23-17(22)12-9-7-11(8-10-12)16-15(18(19,20)21)13-5-3-4-6-14(13)24-16/h3-10H,2H2,1H3
InChI Key:
IIDVLBHBCHCYKV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1oc2c(c1C(F)(F)F)cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.294g/mol
Monoisotopic Mass:
334.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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