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Home > Fluorides > 808122-97-6
808122-97-6 | Ethanone, 1-[4-hydroxy-5-[4-(trifluoromethyl)phenyl]-3-thienyl]-
CAS No: 808122-97-6 Catalog No: AG005IPK MDL No:
Product Description
Catalog Number:
AG005IPK
Chemical Name:
Ethanone, 1-[4-hydroxy-5-[4-(trifluoromethyl)phenyl]-3-thienyl]-
CAS Number:
808122-97-6
Molecular Formula:
C13H9F3O2S
Molecular Weight:
286.2696
IUPAC Name:
1-[4-hydroxy-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
InChI:
InChI=1S/C13H9F3O2S/c1-7(17)10-6-19-12(11(10)18)8-2-4-9(5-3-8)13(14,15)16/h2-6,18H,1H3
InChI Key:
UMEXFNQDSIYYCW-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(c1O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.268g/mol
Monoisotopic Mass:
286.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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