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Triphenylacetonitrile

CAT: 0572-TRC-T394360-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T394360-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6639-43-6
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
N#CC(c1ccccc1)(c2ccccc2)c3ccccc3
Molecular Formula
C20 H15 N
Molecular Weight
269.34
InChI
InChI=1S/C20H15N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
Additionnal Information
IUPAC name: 2,2,2-triphenylacetonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Triphenylacetonitrile
CAS Number6639-43-6
PubChem CID226057
IUPAC Name2,2,2-triphenylacetonitrile
Molecular FormulaC20H15N
Molecular Weight269.3
XLogP4.2
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity313
SMILES
C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H15N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey
IFLGNTXHZCYIJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triphenylacetonitrile
CAS: 6639-43-6
CID: 226057
Formula: C20H15N
MW: 269.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.3
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass269.120449483
Monoisotopic Mass269.120449483
Topological Polar Surface Area23.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity313
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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