2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride

C9H6Cl3NO2 — CID 86739160

IUPAC2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride
SMILESO=C(Cl)C(Cl)ON=Cc1ccccc1Cl
InChIInChI=1S/C9H6Cl3NO2/c10-7-4-2-1-3-6(7)5-13-15-9(12)8(11)14/h1-5,9H
InChIKeyWEVUBIQVXNHUQB-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride

2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride (PubChem CID 86739160) has the molecular formula C9H6Cl3NO2 and a molecular weight of 266.51 g/mol. Its IUPAC name is 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride.

Molecular Properties

Compound Name2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride
PubChem CID86739160
Molecular FormulaC9H6Cl3NO2
Molecular Weight266.51 g/mol
Exact Mass264.95
IUPAC Name2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride
SMILESO=C(Cl)C(Cl)ON=Cc1ccccc1Cl
InChIInChI=1S/C9H6Cl3NO2/c10-7-4-2-1-3-6(7)5-13-15-9(12)8(11)14/h1-5,9H
InChIKeyWEVUBIQVXNHUQB-UHFFFAOYSA-N
XLogP3.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
CID 173428303
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-benzoyl-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 154037448
(E)-N-[N'-[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
CID 172964207
N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide
CID 137198212
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
1-chloro-2-(2,2-dichloroethenyl)benzene
CID 11298721
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
CID 58417700
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride?
The IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride (CID 86739160) is 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride.
What is the SMILES notation for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride?
The canonical SMILES for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride is O=C(Cl)C(Cl)ON=Cc1ccccc1Cl.
What is the InChIKey of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride?
The InChIKey is WEVUBIQVXNHUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3NO2/c10-7-4-2-1-3-6(7)5-13-15-9(12)8(11)14/h1-5,9H.
What are the key properties of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride?
2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride has a molecular weight of 266.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride is sourced from PubChem (CID 86739160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).