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4,4-Difluorobenzhydrol

CAT: 0931-PDK0200Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-PDK0200Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
365-24-2
Target
AChR
Related Pathways
Neuroscience
Bioactivity
Compound PDK0200, with CAS No. 365-24-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0200 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
OC(c1ccc(F)cc1)c1ccc(F)cc1
Molecular Formula
C13H10F2O
Molecular Weight
220.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-Difluorobenzhydryl alcohol
CAS Number365-24-2
PubChem CID123049
IUPAC Namebis(4-fluorophenyl)methanol
Molecular FormulaC13H10F2O
Molecular Weight220.21
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity184
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F
InChI
InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
WCTZPQWLFWZYJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Difluorobenzhydryl alcohol
CAS: 365-24-2
CID: 123049
Formula: C13H10F2O
MW: 220.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.21
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass220.06997126
Monoisotopic Mass220.06997126
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity184
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

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Alternative Products

CatalogName
HY-W037331-014,4-Difluorobenzhydrol
273532-014,4'-Difluorobenzhydrol
sc-3227463,4'-Difluorobenzhydrol
TRC-D445445-2.5G2,4'-Difluorobenzhydrol
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sc-3230514-Chloro-3,4'-difluorobenzhydrol
PC25823-Chloro-4,4'-difluorobenzhydrol
PC25854-Chloro-3',4'-difluorobenzhydrol
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