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140860-78-2 | 2-Buten-1-one, 4,4,4-trifluoro-1-(5-methyl-2-furanyl)-3-(trifluoromethyl)-
CAS No: 140860-78-2 Catalog No: AG001CXJ MDL No:
Product Description
Catalog Number:
AG001CXJ
Chemical Name:
2-Buten-1-one, 4,4,4-trifluoro-1-(5-methyl-2-furanyl)-3-(trifluoromethyl)-
CAS Number:
140860-78-2
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
IUPAC Name:
4,4,4-trifluoro-1-(5-methylfuran-2-yl)-3-(trifluoromethyl)but-2-en-1-one
InChI:
InChI=1S/C10H6F6O2/c1-5-2-3-7(18-5)6(17)4-8(9(11,12)13)10(14,15)16/h2-4H,1H3
InChI Key:
APFHWJRAJRQWAJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)C)C=C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.146g/mol
Monoisotopic Mass:
272.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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