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6-Phenylnicotinonitrile

CAT: 0013-GTR19253090-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253090-01Size:100 mg
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Description
6-Phenylnicotinonitrile
CAS Number
39065-54-8
Smiles
N#CC1=CN=C (C=C1) C1=CC=CC=C1
Molecular Formula
C12H8N2
Molecular Weight
180.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Phenylpyridine-3-carbonitrile
CAS Number39065-54-8
PubChem CID12576518
IUPAC Name6-phenylpyridine-3-carbonitrile
Molecular FormulaC12H8N2
Molecular Weight180.20
XLogP2.2
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CC=C(C=C1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H8N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H
InChIKey
OSRYUVXCTNUGRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Phenylpyridine-3-carbonitrile
CAS: 39065-54-8
CID: 12576518
Formula: C12H8N2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass180.068748264
Monoisotopic Mass180.068748264
Topological Polar Surface Area36.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
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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