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Home Other Building Blocks 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione

CAS No.:
326-90-9
Catalog Number:
AG003HCP
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$138
- +
500g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003HCP
Chemical Name:
4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
CAS Number:
326-90-9
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00014713
IUPAC Name:
4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChI Key:
OWLPCALGCHDBCN-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CC(=O)c1ccco1
EC Number:
206-315-1
NSC Number:
9186
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity. Bioorganic & medicinal chemistry letters 20100415
Properties