(Z)-N-methoxybenzenecarboximidoyl chloride

C8H8ClNO — CID 12610560

IUPAC(Z)-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c1-11-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-
InChIKeyAFKAEPKBTMBQAQ-NTMALXAHSA-N
MW169.61 g/mol
LogP2.23
Rot. Bonds2

About (Z)-N-methoxybenzenecarboximidoyl chloride

(Z)-N-methoxybenzenecarboximidoyl chloride (PubChem CID 12610560) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (Z)-N-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(Z)-N-methoxybenzenecarboximidoyl chloride
PubChem CID12610560
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(Z)-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c1-11-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-
InChIKeyAFKAEPKBTMBQAQ-NTMALXAHSA-N
XLogP2.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (Z)-N-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (Z)-N-methoxybenzenecarboximidoyl chloride (CID 12610560) is (Z)-N-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (Z)-N-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (Z)-N-methoxybenzenecarboximidoyl chloride is CO/N=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-N-methoxybenzenecarboximidoyl chloride?
The InChIKey is AFKAEPKBTMBQAQ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-11-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-.
What are the key properties of (Z)-N-methoxybenzenecarboximidoyl chloride?
(Z)-N-methoxybenzenecarboximidoyl chloride has a molecular weight of 169.61 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 12610560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).