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Compound FL0145

CAT: 0931-FL0145-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0145-02Size:25 mg
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CAS Number
72768-97-9
Purity
0.992
Bioactivity
Compound FL0145, with CAS No. 72768-97-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0145 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
OCc1ccc2OC(F)(F)Oc2c1
Molecular Formula
C8H6F2O3
Molecular Weight
188.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2,2-Difluoro-1,3-dioxaindan-5-yl)methanol
CAS Number72768-97-9
PubChem CID12814281
IUPAC Name(2,2-difluoro-1,3-benzodioxol-5-yl)methanol
Molecular FormulaC8H6F2O3
Molecular Weight188.13
XLogP1.8
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity198
SMILES
C1=CC2=C(C=C1CO)OC(O2)(F)F
InChI
InChI=1S/C8H6F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-3,11H,4H2
InChIKey
PJPDSEYHEHGLOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,2-Difluoro-1,3-dioxaindan-5-yl)methanol
CAS: 72768-97-9
CID: 12814281
Formula: C8H6F2O3
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.13
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass188.02850037
Monoisotopic Mass188.02850037
Topological Polar Surface Area38.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
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
FL0185-01Compound FL0185
FL0115-01Compound FL0115
FL0155-01Compound FL0155
FL0146-01Compound FL0146
FL0105-01Compound FL0105
FL0175-01Compound FL0175
FL0148-01Compound FL0148
FL0165-01Compound FL0165
FL0154-01Compound FL0154
FL0158-01Compound FL0158

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CatalogName
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HY-U00358Compound 2
HY-14176-01Compound E
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