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5-Chloro-2-ethylpyridine

CAT: 0127-OR1044520-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1044520-01Size:100 mg
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CAS Number
1159815-12-9
MDL Number
MFCD12033380
Purity
95%
Smiles
CCC1=NC=C(Cl)C=C1

Chemical Information

5-Chloro-2-ethylpyridine
CAS Number1159815-12-9
PubChem CID19419177
IUPAC Name5-chloro-2-ethylpyridine
Molecular FormulaC7H8ClN
Molecular Weight141.60
XLogP2.3
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CCC1=NC=C(C=C1)Cl
InChI
InChI=1S/C7H8ClN/c1-2-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKey
DRVRALGHBQQJAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-ethylpyridine
CAS: 1159815-12-9
CID: 19419177
Formula: C7H8ClN
MW: 141.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.60
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass141.0345270
Monoisotopic Mass141.0345270
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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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