(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine

C7H7AsClNO — CID 173159716

IUPAC(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
SMILESO/N=C(/[AsH2])c1ccc(Cl)cc1
InChIInChI=1S/C7H7AsClNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H,8H2/b10-7+
InChIKeyNNIVUAYLEBZKNE-JXMROGBWSA-N
MW231.51 g/mol
LogP1.11
Rot. Bonds1

About (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine

(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine (PubChem CID 173159716) has the molecular formula C7H7AsClNO and a molecular weight of 231.51 g/mol. Its IUPAC name is (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
PubChem CID173159716
Molecular FormulaC7H7AsClNO
Molecular Weight231.51 g/mol
Exact Mass230.94
IUPAC Name(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
SMILESO/N=C(/[AsH2])c1ccc(Cl)cc1
InChIInChI=1S/C7H7AsClNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H,8H2/b10-7+
InChIKeyNNIVUAYLEBZKNE-JXMROGBWSA-N
XLogP1.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137309663
bis(chloropalladium(1+));bis(4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]benzene-5-id-1-ol)
CID 134991894
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
4-chlorophenol
CID 4684
(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
CID 6512564
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine (CID 173159716) is (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine is O/N=C(/[AsH2])c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine?
The InChIKey is NNIVUAYLEBZKNE-JXMROGBWSA-N. The full InChI is InChI=1S/C7H7AsClNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H,8H2/b10-7+.
What are the key properties of (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine?
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine has a molecular weight of 231.51 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 173159716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).