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Compound Fr13272

CAT: 0931-Fr13272-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13272-01Size:200 mg
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CAS Number
326-06-7
Bioactivity
Compound Fr13272, with CAS No. 326-06-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13272 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
FC(F)(F)C(=O)CC(=O)c1ccccc1
Molecular Formula
C10H7F3O2
Molecular Weight
216.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4,4-Trifluoro-1-phenyl-1,3-butanedione

can trap reactive metabolites of carcinogens

CAS Number326-06-7
PubChem CID67589
IUPAC Name4,4,4-trifluoro-1-phenylbutane-1,3-dione
Molecular FormulaC10H7F3O2
Molecular Weight216.16
XLogP2.6
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity252
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
VVXLFFIFNVKFBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4,4-Trifluoro-1-phenyl-1,3-butanedione
CAS: 326-06-7
CID: 67589
Formula: C10H7F3O2
MW: 216.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.16
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass216.03981395
Monoisotopic Mass216.03981395
Topological Polar Surface Area34.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13274-01Compound Fr13274
Fr12272-01Compound Fr12272
Fr13772-01Compound Fr13772
Fr13278-01Compound Fr13278
Fr12372-01Compound Fr12372
Fr13672-01Compound Fr13672
Fr13202-01Compound Fr13202
Fr13282-01Compound Fr13282
Fr13722-01Compound Fr13722
Fr14272-01Compound Fr14272

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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