4- (P-Tolyloxy) Benzonitrile

CAT: 0127-OR1026909-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026909-01Size:250 mg

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CAS Number

37563-42-1

Synonyms

4- (4-methylphenoxy) benzonitrile

Purity

98%

Smiles

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

Chemical Information

4-(4-Methylphenoxy)benzonitrile

CAS Number	37563-42-1
PubChem CID	4046050
IUPAC Name	4-(4-methylphenoxy)benzonitrile
Molecular Formula	C14H11NO
Molecular Weight	209.24
XLogP	3.5
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	251

SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H11NO/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-9H,1H3

InChIKey

ISMMAUUEMOWLIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37563-42-1

CID: 4046050

Formula: C14H11NO

MW: 209.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.24
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	209.084063974
Monoisotopic Mass	209.084063974
Topological Polar Surface Area	33 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251
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
OR1057508-01	4- (p-Tolyloxy) phthalonitrile
OR1046260-01	4- (p-Tolyloxy) phenol
OR1080902-01	4- ((p-tolyloxy) methyl) benzaldehyde
OR76804-01	(4- (P-tolyloxy) phenyl) methanamine
OR1095900	4- ((p-tolyloxy) methyl) benzoic acid
OR1092874-01	Ethyl 4- ((p-tolyloxy) methyl) benzoate
OR1094422-01	Methyl 4- ((p-tolyloxy) methyl) benzoate
OR1056950-01	3- (p-Tolyloxy) aniline
OR1057656-01	3- (p-Tolyloxy) phthalonitrile
OR1004800-01	Tetrakis (p-tolyloxy) methane

Catalog	Name
291324-01	4- (P-Tolyloxy) Benzonitrile
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TRC-D474065-10MG	(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
sc-317001	4-p-Tolyloxy-benzylamine