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832737-14-1 | 4,4-Difluoro-1-(5-methyl-thiophen-2-yl)-butane-1,3 -dione
CAS No: 832737-14-1 Catalog No: AG01EXL6 MDL No:
Product Description
Catalog Number:
AG01EXL6
Chemical Name:
4,4-Difluoro-1-(5-methyl-thiophen-2-yl)-butane-1,3 -dione
CAS Number:
832737-14-1
Molecular Formula:
C9H8F2O2S
Molecular Weight:
218.2204
IUPAC Name:
4,4-difluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione
InChI:
InChI=1S/C9H8F2O2S/c1-5-2-3-8(14-5)6(12)4-7(13)9(10)11/h2-3,9H,4H2,1H3
InChI Key:
MBFKKHKKGSENDK-UHFFFAOYSA-N
SMILES:
FC(C(=O)CC(=O)c1ccc(s1)C)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.218g/mol
Monoisotopic Mass:
218.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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