(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride

C7H4Cl3NO — CID 23548144

IUPAC(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl3NO/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H/b11-7-
InChIKeyMISZEFQJRDIUPL-XFFZJAGNSA-N
MW224.47 g/mol
LogP3.37
Rot. Bonds1

About (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride

(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 23548144) has the molecular formula C7H4Cl3NO and a molecular weight of 224.47 g/mol. Its IUPAC name is (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID23548144
Molecular FormulaC7H4Cl3NO
Molecular Weight224.47 g/mol
Exact Mass222.94
IUPAC Name(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl3NO/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H/b11-7-
InChIKeyMISZEFQJRDIUPL-XFFZJAGNSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride (CID 23548144) is (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(\Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is MISZEFQJRDIUPL-XFFZJAGNSA-N. The full InChI is InChI=1S/C7H4Cl3NO/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H/b11-7-.
What are the key properties of (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride?
(1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 224.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,5-dichloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 23548144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).