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2-Chloro-3-phenylpyridine

CAT: 0127-OR1098052Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
31557-57-0
MDL Number
MFCD04114133
Smiles
C1cnc (c (c1) c1ccccc1) Cl

Chemical Information

2-Chloro-3-phenylpyridine
CAS Number31557-57-0
PubChem CID2762807
IUPAC Name2-chloro-3-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=C(N=CC=C2)Cl
InChI
InChI=1S/C11H8ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H
InChIKey
GUIPMNNQJZQJFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-phenylpyridine
CAS: 31557-57-0
CID: 2762807
Formula: C11H8ClN
MW: 189.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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