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TAS-4

CAT: 0013-GTR19199589-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199589-01Size:25 mg
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Description
TAS-4
CAS Number
794544-99-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
N (C (=O) C1=CC=CC=N1) C2=C (Cl) C=C (Cl) C=C2
Molecular Formula
C12H8Cl2N2O
Molecular Weight
267.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CAS Number794544-99-3
PubChem CID2254901
IUPAC NameN-(2,4-dichlorophenyl)pyridine-2-carboxamide
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.11
XLogP3.1
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity275
SMILES
C1=CC=NC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-8-4-5-10(9(14)7-8)16-12(17)11-3-1-2-6-15-11/h1-7H,(H,16,17)
InChIKey
ZNMWFDKCPWCBBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CAS: 794544-99-3
CID: 2254901
Formula: C12H8Cl2N2O
MW: 267.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.11
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.0013683
Monoisotopic Mass266.0013683
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity275
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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