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Compound Fr12465

CAT: 0931-Fr12465-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12465-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14548-46-0
Purity
0.9982
Bioactivity
Compound Fr12465, with CAS No. 14548-46-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12465 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
O=C(c1ccccc1)c1ccncc1
Molecular Formula
C12H9NO
Molecular Weight
183.206
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Benzoylpyridine

4-Benzoylpyridine is an aromatic ketone.

CAS Number14548-46-0
PubChem CID26731
IUPAC Namephenyl(pyridin-4-yl)methanone
Molecular FormulaC12H9NO
Molecular Weight183.21
XLogP2
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzoylpyridine
CAS: 14548-46-0
CID: 26731
Formula: C12H9NO
MW: 183.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass183.068413911
Monoisotopic Mass183.068413911
Topological Polar Surface Area30 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
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
Fr12665-01Compound Fr12665
Fr12495-01Compound Fr12495
Fr12460-01Compound Fr12460
Fr12467-01Compound Fr12467
Fr12463-01Compound Fr12463
Fr12405-01Compound Fr12405
Fr12265-01Compound Fr12265
Fr12462-01Compound Fr12462
Fr12456-01Compound Fr12456
Fr12645-01Compound Fr12645

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HY-14176-01Compound E
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2573-5Compound 112254
MBS3613444-01Compound W
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