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Compound FL0084

CAT: 0013-GTR19269705-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269705-01Size:1 mg
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Description
Compound FL0084, with CAS No. 1788043-95-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0084 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
1788043-95-7
Purity
99.68% (May vary between batches)
Smiles
CC (=O) n1nc (C#N) c2ccc (C) cc12
Molecular Formula
C11H9N3O
Molecular Weight
199.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Acetyl-6-methyl-1H-indazole-3-carbonitrile
CAS Number1788043-95-7
PubChem CID91825895
IUPAC Name1-acetyl-6-methylindazole-3-carbonitrile
Molecular FormulaC11H9N3O
Molecular Weight199.21
XLogP1.9
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity319
SMILES
CC1=CC2=C(C=C1)C(=NN2C(=O)C)C#N
InChI
InChI=1S/C11H9N3O/c1-7-3-4-9-10(6-12)13-14(8(2)15)11(9)5-7/h3-5H,1-2H3
InChIKey
AUUUEICCTRRBNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetyl-6-methyl-1H-indazole-3-carbonitrile
CAS: 1788043-95-7
CID: 91825895
Formula: C11H9N3O
MW: 199.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass199.074561919
Monoisotopic Mass199.074561919
Topological Polar Surface Area58.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity319
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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