1-chloro-2-(dichloroamino)oxybenzene

C6H4Cl3NO — CID 174531123

IUPAC1-chloro-2-(dichloroamino)oxybenzene
SMILESClc1ccccc1ON(Cl)Cl
InChIInChI=1S/C6H4Cl3NO/c7-5-3-1-2-4-6(5)11-10(8)9/h1-4H
InChIKeyRGBVOUCZTSPDOQ-UHFFFAOYSA-N
MW212.46 g/mol
LogP3.24
Rot. Bonds2

About 1-chloro-2-(dichloroamino)oxybenzene

1-chloro-2-(dichloroamino)oxybenzene (PubChem CID 174531123) has the molecular formula C6H4Cl3NO and a molecular weight of 212.46 g/mol. Its IUPAC name is 1-chloro-2-(dichloroamino)oxybenzene.

Molecular Properties

Compound Name1-chloro-2-(dichloroamino)oxybenzene
PubChem CID174531123
Molecular FormulaC6H4Cl3NO
Molecular Weight212.46 g/mol
Exact Mass210.94
IUPAC Name1-chloro-2-(dichloroamino)oxybenzene
SMILESClc1ccccc1ON(Cl)Cl
InChIInChI=1S/C6H4Cl3NO/c7-5-3-1-2-4-6(5)11-10(8)9/h1-4H
InChIKeyRGBVOUCZTSPDOQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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azane;1-chloro-2-phenoxybenzene
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CID 70584322
(2-chlorophenyl) nitrate
CID 141071843
1-(2-chlorophenoxy)ethanethiol
CID 147588927
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(dichloroamino)oxybenzene?
The IUPAC name of 1-chloro-2-(dichloroamino)oxybenzene (CID 174531123) is 1-chloro-2-(dichloroamino)oxybenzene.
What is the SMILES notation for 1-chloro-2-(dichloroamino)oxybenzene?
The canonical SMILES for 1-chloro-2-(dichloroamino)oxybenzene is Clc1ccccc1ON(Cl)Cl.
What is the InChIKey of 1-chloro-2-(dichloroamino)oxybenzene?
The InChIKey is RGBVOUCZTSPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO/c7-5-3-1-2-4-6(5)11-10(8)9/h1-4H.
What are the key properties of 1-chloro-2-(dichloroamino)oxybenzene?
1-chloro-2-(dichloroamino)oxybenzene has a molecular weight of 212.46 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(dichloroamino)oxybenzene is sourced from PubChem (CID 174531123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).