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4- (benzyloxy) pyridine

CAT: 0931-Fr21269-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr21269-01Size:200 mg
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CAS Number
49826-70-2
Purity
0.9967
Bioactivity
4- (benzyloxy) pyridine, with CAS No. 49826-70-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4- (benzyloxy) pyridine 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
C(Oc1ccncc1)c1ccccc1
Molecular Formula
C12H11NO
Molecular Weight
185.226
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(Benzyloxy)pyridine
CAS Number49826-70-2
PubChem CID12328828
IUPAC Name4-phenylmethoxypyridine
Molecular FormulaC12H11NO
Molecular Weight185.22
XLogP2.3
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity148
SMILES
C1=CC=C(C=C1)COC2=CC=NC=C2
InChI
InChI=1S/C12H11NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey
WBCDUONHBLSZED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)pyridine
CAS: 49826-70-2
CID: 12328828
Formula: C12H11NO
MW: 185.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass185.084063974
Monoisotopic Mass185.084063974
Topological Polar Surface Area22.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity148
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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