N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine

C12H9Cl2NO2 — CID 87857015

IUPACN-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine
SMILESONc1ccc(Cl)cc1Oc1ccccc1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-8-5-6-10(15-16)12(7-8)17-11-4-2-1-3-9(11)14/h1-7,15-16H
InChIKeyJZKLYDUAOJAXQM-UHFFFAOYSA-N
MW270.12 g/mol
LogP4.59
Rot. Bonds3

About N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine

N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine (PubChem CID 87857015) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine
PubChem CID87857015
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC NameN-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine
SMILESONc1ccc(Cl)cc1Oc1ccccc1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-8-5-6-10(15-16)12(7-8)17-11-4-2-1-3-9(11)14/h1-7,15-16H
InChIKeyJZKLYDUAOJAXQM-UHFFFAOYSA-N
XLogP4.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine?
The IUPAC name of N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine (CID 87857015) is N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine.
What is the SMILES notation for N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine?
The canonical SMILES for N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine is ONc1ccc(Cl)cc1Oc1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine?
The InChIKey is JZKLYDUAOJAXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-8-5-6-10(15-16)12(7-8)17-11-4-2-1-3-9(11)14/h1-7,15-16H.
What are the key properties of N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine?
N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine has a molecular weight of 270.12 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorophenoxy)phenyl]hydroxylamine is sourced from PubChem (CID 87857015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).