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Compound FL0180

CAT: 0013-GTR19269739-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269739-01Size:1 mg
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Description
Compound FL0180, with CAS No. 74650-73-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0180 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
74650-73-0
Purity
99.95% (May vary between batches)
Smiles
COc1cnc (Cl) c (c1) C#N
Molecular Formula
C7H5ClN2O
Molecular Weight
168.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-5-methoxynicotinonitrile
CAS Number74650-73-0
PubChem CID12852019
IUPAC Name2-chloro-5-methoxypyridine-3-carbonitrile
Molecular FormulaC7H5ClN2O
Molecular Weight168.58
XLogP1.5
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity177
SMILES
COC1=CC(=C(N=C1)Cl)C#N
InChI
InChI=1S/C7H5ClN2O/c1-11-6-2-5(3-9)7(8)10-4-6/h2,4H,1H3
InChIKey
MAXCZWUUQRMEGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-methoxynicotinonitrile
CAS: 74650-73-0
CID: 12852019
Formula: C7H5ClN2O
MW: 168.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.58
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass168.0090405
Monoisotopic Mass168.0090405
Topological Polar Surface Area45.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity177
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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