(1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride

C8H8ClNO — CID 12594310

IUPAC(1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride
SMILESCc1ccccc1/C(Cl)=N/O
InChIInChI=1S/C8H8ClNO/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3/b10-8-
InChIKeyRMEACWADEPTZOU-NTMALXAHSA-N
MW169.61 g/mol
LogP2.37
Rot. Bonds1

About (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride

(1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride (PubChem CID 12594310) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride
PubChem CID12594310
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride
SMILESCc1ccccc1/C(Cl)=N/O
InChIInChI=1S/C8H8ClNO/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3/b10-8-
InChIKeyRMEACWADEPTZOU-NTMALXAHSA-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 (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride (CID 12594310) is (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride is Cc1ccccc1/C(Cl)=N/O.
What is the InChIKey of (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The InChIKey is RMEACWADEPTZOU-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3/b10-8-.
What are the key properties of (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
(1Z)-N-hydroxy-2-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 (1Z)-N-hydroxy-2-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 12594310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).