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2-chloro-6-ethynylpyridine

CAT: 0926-PLB95009-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-PLB95009-01Size:0.5 g
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CAS Number
914950-09-7
MDL Number
MFCD13189719
Smiles
C#CC1=NC (=CC=C1) Cl
Molecular Formula
C7H4ClN
Molecular Weight
137.6 g/mol
Controlled
No

Chemical Information

2-Chloro-6-ethynylpyridine
CAS Number914950-09-7
PubChem CID44887026
IUPAC Name2-chloro-6-ethynylpyridine
Molecular FormulaC7H4ClN
Molecular Weight137.56
XLogP2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C#CC1=NC(=CC=C1)Cl
InChI
InChI=1S/C7H4ClN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKey
ZOHUJSRUQYVASP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-ethynylpyridine
CAS: 914950-09-7
CID: 44887026
Formula: C7H4ClN
MW: 137.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.56
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass137.0032268
Monoisotopic Mass137.0032268
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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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