2-Phenylisonicotinonitrile

CAT: 0024-sc-308580Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-308580Size:500 mg

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CAS Number

33744-17-1

Chemical Information

2-Phenylisonicotinonitrile

CAS Number	33744-17-1
PubChem CID	602036
IUPAC Name	2-phenylpyridine-4-carbonitrile
Molecular Formula	C12H8N2
Molecular Weight	180.20
XLogP	2.5
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	222

SMILES

C1=CC=C(C=C1)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C12H8N2/c13-9-10-6-7-14-12(8-10)11-4-2-1-3-5-11/h1-8H

InChIKey

VXEVXBMHURSJRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33744-17-1

CID: 602036

Formula: C12H8N2

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	180.068748264
Monoisotopic Mass	180.068748264
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-506736	2'-Amino-2,2,2-trifluoroacetophenone
sc-322118A	2'-Methoxy-2,2,2-trifluoroacetophenone

Catalog	Name
OR14232	2-Phenylisonicotinonitrile
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)