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Compound Fr13862

CAT: 0931-Fr13862-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13862-01Size:200 mg
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CAS Number
26947-41-1
Purity
>99.99%
Bioactivity
Compound Fr13862, with CAS No. 26947-41-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13862 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
N#CC1=CC2=CC=CC=C2C=N1
Molecular Formula
C10H6N2
Molecular Weight
154.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Isoquinolinecarbonitrile

3-Isoquinolinecarbonitrile is a member of isoquinolines.

CAS Number26947-41-1
PubChem CID5076808
IUPAC Nameisoquinoline-3-carbonitrile
Molecular FormulaC10H6N2
Molecular Weight154.17
XLogP2.2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity203
SMILES
C1=CC=C2C=NC(=CC2=C1)C#N
InChI
InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChIKey
GXXBVBVNGMCFIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Isoquinolinecarbonitrile
CAS: 26947-41-1
CID: 5076808
Formula: C10H6N2
MW: 154.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.17
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass154.053098200
Monoisotopic Mass154.053098200
Topological Polar Surface Area36.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity203
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
Fr13867-01Compound Fr13867
Fr13762-01Compound Fr13762
Fr13860-01Compound Fr13860
Fr13682-01Compound Fr13682
Fr13822-01Compound Fr13822
Fr13812-01Compound Fr13812
Fr13562-01Compound Fr13562
Fr13462-01Compound Fr13462
Fr13872-01Compound Fr13872
Fr13864-01Compound Fr13864

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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