N-hydroxy-4-methylbenzenecarboximidoyl chloride

C8H8ClNO — CID 3303868

IUPACN-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(C(Cl)=NO)cc1
InChIInChI=1S/C8H8ClNO/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3
InChIKeyCWLYVEMDVAPUMV-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.37
Rot. Bonds1

About N-hydroxy-4-methylbenzenecarboximidoyl chloride

N-hydroxy-4-methylbenzenecarboximidoyl chloride (PubChem CID 3303868) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is N-hydroxy-4-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-4-methylbenzenecarboximidoyl chloride
PubChem CID3303868
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC NameN-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(C(Cl)=NO)cc1
InChIInChI=1S/C8H8ClNO/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3
InChIKeyCWLYVEMDVAPUMV-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.37
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 N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The IUPAC name of N-hydroxy-4-methylbenzenecarboximidoyl chloride (CID 3303868) is N-hydroxy-4-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The canonical SMILES for N-hydroxy-4-methylbenzenecarboximidoyl chloride is Cc1ccc(C(Cl)=NO)cc1.
What is the InChIKey of N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The InChIKey is CWLYVEMDVAPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3.
What are the key properties of N-hydroxy-4-methylbenzenecarboximidoyl chloride?
N-hydroxy-4-methylbenzenecarboximidoyl chloride has a molecular weight of 169.61 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 3303868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).