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2- (4-Chlorobenzyl) pyridine

CAT: 1596-AR-P29514-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P29514-01Size:25 Units
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CAS Number
4350-41-8
Synonyms
4-Chlorophenyl 4-pyridyl ketone
Molecular Formula
C12H10NCl
Molecular Weight
203.66
API Name
Pyridine

Chemical Information

2-(4'-Chlorobenzyl)pyridine
CAS Number4350-41-8
PubChem CID78054
IUPAC Name2-[(4-chlorophenyl)methyl]pyridine
Molecular FormulaC12H10ClN
Molecular Weight203.67
XLogP3.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity164
SMILES
C1=CC=NC(=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2
InChIKey
XSVWMIMFDMJQRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4'-Chlorobenzyl)pyridine
CAS: 4350-41-8
CID: 78054
Formula: C12H10ClN
MW: 203.67
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.67
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass203.0501770
Monoisotopic Mass203.0501770
Topological Polar Surface Area12.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity164
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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