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Compound Fr12937

CAT: 0013-GTR19269858-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269858-02Size:25 mg
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Description
Compound Fr12937, with CAS No. 194017-70-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12937 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.
CAS Number
194017-70-4
Purity
97.45% (May vary between batches)
Smiles
OCc1ccc (Oc2ccccn2) cc1
Molecular Formula
C12H11NO2
Molecular Weight
201.2212
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-(Pyrid-2-yloxy)phenyl]methanol
CAS Number194017-70-4
PubChem CID17859715
IUPAC Name(4-pyridin-2-yloxyphenyl)methanol
Molecular FormulaC12H11NO2
Molecular Weight201.22
XLogP1.5
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity178
SMILES
C1=CC=NC(=C1)OC2=CC=C(C=C2)CO
InChI
InChI=1S/C12H11NO2/c14-9-10-4-6-11(7-5-10)15-12-3-1-2-8-13-12/h1-8,14H,9H2
InChIKey
ZDTXOQRCIVCMLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(Pyrid-2-yloxy)phenyl]methanol
CAS: 194017-70-4
CID: 17859715
Formula: C12H11NO2
MW: 201.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.22
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass201.078978594
Monoisotopic Mass201.078978594
Topological Polar Surface Area42.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity178
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

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GTR19269864-01Compound Fr12986
GTR19269863-01Compound Fr12964
GTR19269860-01Compound Fr12944
GTR19269853-01Compound Fr12887

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