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Compound Fr13664

CAT: 0013-GTR19269948-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269948-02Size:5 mg
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Description
Compound Fr13664, with CAS No. 79002-39-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13664 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
79002-39-4
Smiles
N#Cc1ccc2occc2c1
Molecular Formula
C9H5NO
Molecular Weight
143.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Benzofuran-5-carbonitrile
CAS Number79002-39-4
PubChem CID2795184
IUPAC Name1-benzofuran-5-carbonitrile
Molecular FormulaC9H5NO
Molecular Weight143.14
XLogP2
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity193
SMILES
C1=CC2=C(C=CO2)C=C1C#N
InChI
InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey
SXFQAFFSEZRQCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzofuran-5-carbonitrile
CAS: 79002-39-4
CID: 2795184
Formula: C9H5NO
MW: 143.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.14
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass143.037113783
Monoisotopic Mass143.037113783
Topological Polar Surface Area36.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
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
GTR19269947-01Compound Fr13663
GTR19269950-01Compound Fr13668
GTR19269949-01Compound Fr13667
GTR19269958-01Compound Fr13696
GTR19269940-01Compound Fr13618
GTR19269926-01Compound Fr13454
GTR19269887-01Compound Fr13184
GTR19269877-01Compound Fr13124
GTR19269863-01Compound Fr12964
GTR19269827-01Compound Fr12654

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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