4- (4-Chlorophenoxy) Benzonitrile

CAT: 0127-OR1011134-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011134-01Size:250 mg

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CAS Number

74448-92-3

MDL Number

MFCD19376539

Purity

98%

Smiles

Clc1ccc(Oc2ccc(cc2)C#N)cc1

Chemical Information

4-(4-Chlorophenoxy)benzonitrile

CAS Number	74448-92-3
PubChem CID	11195570
IUPAC Name	4-(4-chlorophenoxy)benzonitrile
Molecular Formula	C13H8ClNO
Molecular Weight	229.66
XLogP	3.8
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	256

SMILES

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H

InChIKey

SOTAPBLDXLHNRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74448-92-3

CID: 11195570

Formula: C13H8ClNO

MW: 229.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.66
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	229.0294416
Monoisotopic Mass	229.0294416
Topological Polar Surface Area	33 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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
OR1100608-01	3- (4-Chlorophenoxy) benzonitrile
OR1003412-01	4- (3-Chlorophenoxy) benzonitrile
OR1052936-01	4- (4-Acetyl-3-chlorophenoxy) benzonitrile
OR12612-01	4- (4-chlorophenoxy) benzaldehyde
OR29829-01	4- (4-Chlorophenoxy) aniline
OR6030-01	(4-Chlorophenoxy) acetonitrile
OR1001856-01	4- (4-Chlorophenoxy) phenylboronic acid
OR88745-01	3- (4-Chlorophenoxy) -4-methylaniline
OR1011135-01	4- (4-Chlorophenoxy) Butanoic Acid
OR7918-01	4- (4-Chlorophenoxy) phenylhydrazine hydrochloride

Catalog	Name
sc-485710	4- (4-Chlorophenoxy) benzonitrile
MJB73112-01	4- (3-Chlorophenoxy) benzonitrile
sc-347935A	4- (4-amino-2-chlorophenoxy) benzonitrile hydrochloride
CS-O-40092	4- (4-Bromomethylphenyl) benzonitrile
SAA07669	4- (4-Aminophenoxy) benzonitrile
FS184515-01	4,4′-Sulfinylbis[benzonitrile]
TPL0357-01	4- (4-FLUOROPHENOXY) BENZONITRILE
TRC-A615385-1G	4-(4-Aminophenoxy)benzonitrile
MBS6103850-01	4-(4-Methylpiperazinomethyl)benzonitrile
sc-232223B	4- (4-Aminophenyl) benzonitrile