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2-Chloro-5-phenylpyridine

CAT: 0127-OR1053715-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1053715-01Size:250 mg
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CAS Number
66600-05-3
MDL Number
MFCD04114187
Purity
95%
Smiles
ClC1=NC=C(C=C1)C1=CC=CC=C1

Chemical Information

2-Chloro-5-phenylpyridine
CAS Number66600-05-3
PubChem CID2762868
IUPAC Name2-chloro-5-phenylpyridine
Molecular FormulaC11H8ClN
Molecular Weight189.64
XLogP3.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
C1=CC=C(C=C1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChIKey
GPTCNPDHDYHZER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-phenylpyridine
CAS: 66600-05-3
CID: 2762868
Formula: C11H8ClN
MW: 189.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.64
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass189.0345270
Monoisotopic Mass189.0345270
Topological Polar Surface Area12.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
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