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2-chloro-3-ethoxypyridine

CAT: 0127-OR1098400Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
63756-58-1
MDL Number
MFCD16653099
Smiles
C1cnc (c (c1) OCC) Cl

Chemical Information

2-Chloro-3-ethoxypyridine
CAS Number63756-58-1
PubChem CID12293475
IUPAC Name2-chloro-3-ethoxypyridine
Molecular FormulaC7H8ClNO
Molecular Weight157.60
XLogP1.6
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
CCOC1=C(N=CC=C1)Cl
InChI
InChI=1S/C7H8ClNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKey
VJDYDIGWWLACKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-ethoxypyridine
CAS: 63756-58-1
CID: 12293475
Formula: C7H8ClNO
MW: 157.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.60
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass157.0294416
Monoisotopic Mass157.0294416
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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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