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Compound Fr13675

CAT: 0013-GTR19269952Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269952Size:100 mg
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Description
Compound Fr13675, with CAS No. 4467-07-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13675 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
4467-07-6
Purity
97.49% (May vary between batches)
Smiles
OC (=O) C1=CC (=CC=C1) C1=NC=CC=C1
Molecular Formula
C12H9NO2
Molecular Weight
199.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Pyridin-2-yl)benzoic acid
CAS Number4467-07-6
PubChem CID5152592
IUPAC Name3-pyridin-2-ylbenzoic acid
Molecular FormulaC12H9NO2
Molecular Weight199.20
XLogP2.2
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity230
SMILES
C1=CC=NC(=C1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
InChIKey
IRXFQXMHMRTLIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Pyridin-2-yl)benzoic acid
CAS: 4467-07-6
CID: 5152592
Formula: C12H9NO2
MW: 199.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass199.063328530
Monoisotopic Mass199.063328530
Topological Polar Surface Area50.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity230
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
GTR19269951-01Compound Fr13673
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GTR19270148-01Compound Fr16675
GTR19269943-01Compound Fr13645
GTR19269947-01Compound Fr13663
GTR19269940-01Compound Fr13618
GTR19269936-01Compound Fr13576
GTR19269900-01Compound Fr13279
GTR19269884-01Compound Fr13155

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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