argon;4-(4-chlorophenoxy)benzonitrile

C13H8ArClNO — CID 158538207

IUPACargon;4-(4-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cc1.[Ar]
InChIInChI=1S/C13H8ClNO.Ar/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H;
InChIKeyHOEVZWMUFMIQSB-UHFFFAOYSA-N
MW269.61 g/mol
LogP4.00
Rot. Bonds2

About argon;4-(4-chlorophenoxy)benzonitrile

argon;4-(4-chlorophenoxy)benzonitrile (PubChem CID 158538207) has the molecular formula C13H8ArClNO and a molecular weight of 269.61 g/mol. Its IUPAC name is argon;4-(4-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Nameargon;4-(4-chlorophenoxy)benzonitrile
PubChem CID158538207
Molecular FormulaC13H8ArClNO
Molecular Weight269.61 g/mol
Exact Mass268.99
IUPAC Nameargon;4-(4-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cc1.[Ar]
InChIInChI=1S/C13H8ClNO.Ar/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H;
InChIKeyHOEVZWMUFMIQSB-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
4-(4-chloro-3-iodophenoxy)benzonitrile
CID 59601645
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
4-[5-chloro-2-(hydroxymethyl)phenoxy]benzonitrile
CID 114846043
4-[3-chloro-4-(chloromethyl)phenoxy]benzonitrile
CID 114064507
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
[4-(4-cyanophenoxy)phenyl]boronic acid
CID 23642221
4-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 140975826
4-(3-chloro-4-methylsulfanylphenoxy)benzonitrile
CID 66844095

Frequently Asked Questions

What is the IUPAC name of argon;4-(4-chlorophenoxy)benzonitrile?
The IUPAC name of argon;4-(4-chlorophenoxy)benzonitrile (CID 158538207) is argon;4-(4-chlorophenoxy)benzonitrile.
What is the SMILES notation for argon;4-(4-chlorophenoxy)benzonitrile?
The canonical SMILES for argon;4-(4-chlorophenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2)cc1.[Ar].
What is the InChIKey of argon;4-(4-chlorophenoxy)benzonitrile?
The InChIKey is HOEVZWMUFMIQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO.Ar/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H;.
What are the key properties of argon;4-(4-chlorophenoxy)benzonitrile?
argon;4-(4-chlorophenoxy)benzonitrile has a molecular weight of 269.61 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;4-(4-chlorophenoxy)benzonitrile is sourced from PubChem (CID 158538207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).