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Compound Fr13725

CAT: 0931-Fr13725-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13725-01Size:50 mg
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CAS Number
85118-05-4
Purity
0.9806
Bioactivity
Compound Fr13725, with CAS No. 85118-05-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13725 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
OCC1=CC(F)=C(F)C=C1
Molecular Formula
C7H6F2O
Molecular Weight
144.1187
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Difluorobenzyl alcohol
CAS Number85118-05-4
PubChem CID522833
IUPAC Name(3,4-difluorophenyl)methanol
Molecular FormulaC7H6F2O
Molecular Weight144.12
XLogP1.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C1=CC(=C(C=C1CO)F)F
InChI
InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
GNQLTCVBSGVGHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluorobenzyl alcohol
CAS: 85118-05-4
CID: 522833
Formula: C7H6F2O
MW: 144.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.12
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass144.03867113
Monoisotopic Mass144.03867113
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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
Fr13775-01Compound Fr13775
Fr13727-01Compound Fr13727
Fr13785-01Compound Fr13785
Fr13325-01Compound Fr13325
Fr13721-01Compound Fr13721
Fr13795-01Compound Fr13795
Fr13752-01Compound Fr13752
Fr13722-01Compound Fr13722
Fr13625-01Compound Fr13625
Fr13735-01Compound Fr13735

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
ALX-270-455-M005Compound 15e

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