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Compound Fr14309

CAT: 0931-Fr14309-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-Fr14309-02Size:5 g
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CAS Number
369-33-5
Purity
0.9858
Bioactivity
Compound Fr14309, with CAS No. 369-33-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14309 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
CC(=O)C1=CC(F)=C(F)C=C1
Molecular Formula
C8H6F2O
Molecular Weight
156.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3,4-Difluorophenyl)ethan-1-one

1-(3,4-Difluorophenyl)ethan-1-one is an aromatic ketone.

CAS Number369-33-5
PubChem CID123052
IUPAC Name1-(3,4-difluorophenyl)ethanone
Molecular FormulaC8H6F2O
Molecular Weight156.13
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC(=O)C1=CC(=C(C=C1)F)F
InChI
InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
VWJSSJFLXRMYNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Difluorophenyl)ethan-1-one
CAS: 369-33-5
CID: 123052
Formula: C8H6F2O
MW: 156.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.13
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.03867113
Monoisotopic Mass156.03867113
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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
Fr14307-01Compound Fr14307
Fr14039-01Compound Fr14039
Fr12309-01Compound Fr12309
Fr14399-01Compound Fr14399
Fr14390-01Compound Fr14390
Fr14339-01Compound Fr14339
Fr14306-01Compound Fr14306
Fr14349-01Compound Fr14349
Fr14509-01Compound Fr14509
Fr14359-01Compound Fr14359

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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