2-chloro-N-hydroxybenzenecarboximidoyl chloride

C7H5Cl2NO — CID 3809733

IUPAC2-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccccc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H
InChIKeyOXNDXWTURCMXJF-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.71
Rot. Bonds1

About 2-chloro-N-hydroxybenzenecarboximidoyl chloride

2-chloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 3809733) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 2-chloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name2-chloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID3809733
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name2-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccccc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H
InChIKeyOXNDXWTURCMXJF-UHFFFAOYSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.71
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 2-chloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 2-chloro-N-hydroxybenzenecarboximidoyl chloride (CID 3809733) is 2-chloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 2-chloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 2-chloro-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is OXNDXWTURCMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H.
What are the key properties of 2-chloro-N-hydroxybenzenecarboximidoyl chloride?
2-chloro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 190.03 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 3809733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).