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Home > Fluorides > 893735-18-7
893735-18-7 | 1-{5-[3-(Trifluoromethyl)phenyl]-2-thienyl}ethanon
CAS No: 893735-18-7 Catalog No: AG01EYKU MDL No:
Product Description
Catalog Number:
AG01EYKU
Chemical Name:
1-{5-[3-(Trifluoromethyl)phenyl]-2-thienyl}ethanon
CAS Number:
893735-18-7
Molecular Formula:
C13H9F3OS
Molecular Weight:
270.2702
IUPAC Name:
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]ethanone
InChI:
InChI=1S/C13H9F3OS/c1-8(17)11-5-6-12(18-11)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChI Key:
KZHJKWBXJOUOSU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.269g/mol
Monoisotopic Mass:
270.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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