4-bromo-N-hydroxybenzenecarboximidoyl chloride

C7H5BrClNO — CID 71436731

IUPAC4-bromo-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C7H5BrClNO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H
InChIKeyZOPFQZFNZNMZEF-UHFFFAOYSA-N
MW234.48 g/mol
LogP2.82
Rot. Bonds1

About 4-bromo-N-hydroxybenzenecarboximidoyl chloride

4-bromo-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 71436731) has the molecular formula C7H5BrClNO and a molecular weight of 234.48 g/mol. Its IUPAC name is 4-bromo-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-bromo-N-hydroxybenzenecarboximidoyl chloride
PubChem CID71436731
Molecular FormulaC7H5BrClNO
Molecular Weight234.48 g/mol
Exact Mass232.92
IUPAC Name4-bromo-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C7H5BrClNO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H
InChIKeyZOPFQZFNZNMZEF-UHFFFAOYSA-N
XLogP2.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.82
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 4-bromo-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 4-bromo-N-hydroxybenzenecarboximidoyl chloride (CID 71436731) is 4-bromo-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 4-bromo-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 4-bromo-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is ZOPFQZFNZNMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H.
What are the key properties of 4-bromo-N-hydroxybenzenecarboximidoyl chloride?
4-bromo-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 234.48 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 71436731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).