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Home > Fluorides > 208265-52-5
208265-52-5 | 3-Buten-2-one, 1,1,1-trifluoro-4-(2-thienyl)-
CAS No: 208265-52-5 Catalog No: AG002JM4 MDL No:
Product Description
Catalog Number:
AG002JM4
Chemical Name:
3-Buten-2-one, 1,1,1-trifluoro-4-(2-thienyl)-
CAS Number:
208265-52-5
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
IUPAC Name:
1,1,1-trifluoro-4-thiophen-2-ylbut-3-en-2-one
InChI:
InChI=1S/C8H5F3OS/c9-8(10,11)7(12)4-3-6-2-1-5-13-6/h1-5H
InChI Key:
PLFWJGKAWSDIQO-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C=Cc1cccs1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.182g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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