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Home > Fluorides > 885603-13-4
885603-13-4 | Ethanone, 1-[4-hydroxy-5-[4-(trifluoromethoxy)phenyl]-3-thienyl]-
CAS No: 885603-13-4 Catalog No: AG004E2R MDL No:
Product Description
Catalog Number:
AG004E2R
Chemical Name:
Ethanone, 1-[4-hydroxy-5-[4-(trifluoromethoxy)phenyl]-3-thienyl]-
CAS Number:
885603-13-4
Molecular Formula:
C13H9F3O3S
Molecular Weight:
302.2690
IUPAC Name:
1-[4-hydroxy-5-[4-(trifluoromethoxy)phenyl]thiophen-3-yl]ethanone
InChI:
InChI=1S/C13H9F3O3S/c1-7(17)10-6-20-12(11(10)18)8-2-4-9(5-3-8)19-13(14,15)16/h2-6,18H,1H3
InChI Key:
NBKREBMYXMAQEJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(c1O)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.267g/mol
Monoisotopic Mass:
302.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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