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Home > Fluorides > 893735-08-5
893735-08-5 | 1-[5-(3-Fluorophenyl)-2-thienyl]ethanone
CAS No: 893735-08-5 Catalog No: AG01EYKR MDL No:
Product Description
Catalog Number:
AG01EYKR
Chemical Name:
1-[5-(3-Fluorophenyl)-2-thienyl]ethanone
CAS Number:
893735-08-5
Molecular Formula:
C12H9FOS
Molecular Weight:
220.2627
IUPAC Name:
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C12H9FOS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,1H3
InChI Key:
XBGDMCHHTGOOFL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(s1)C(=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.261g/mol
Monoisotopic Mass:
220.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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