(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde

C9H7Cl2NO2 — CID 22790795

IUPAC(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde
SMILESCO/N=C(/C=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2NO2/c1-14-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-5H,1H3/b12-9-
InChIKeyPFEGNQBEODUUKS-XFXZXTDPSA-N
MW232.07 g/mol
LogP2.54
Rot. Bonds3

About (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde

(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde (PubChem CID 22790795) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde.

Molecular Properties

Compound Name(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde
PubChem CID22790795
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde
SMILESCO/N=C(/C=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2NO2/c1-14-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-5H,1H3/b12-9-
InChIKeyPFEGNQBEODUUKS-XFXZXTDPSA-N
XLogP2.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde?
The IUPAC name of (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde (CID 22790795) is (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde.
What is the SMILES notation for (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde?
The canonical SMILES for (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde is CO/N=C(/C=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde?
The InChIKey is PFEGNQBEODUUKS-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-14-12-9(5-13)6-2-7(10)4-8(11)3-6/h2-5H,1H3/b12-9-.
What are the key properties of (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde?
(2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde has a molecular weight of 232.07 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,5-dichlorophenyl)-2-methoxyiminoacetaldehyde is sourced from PubChem (CID 22790795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).