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

C8H8ClNO2 — CID 11206217

IUPAC(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccccc1/C(Cl)=N/O
InChIInChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3/b10-8-
InChIKeyKVDMQNUSKPRBGU-NTMALXAHSA-N
MW185.61 g/mol
LogP2.07
Rot. Bonds2

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

(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride (PubChem CID 11206217) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride
PubChem CID11206217
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccccc1/C(Cl)=N/O
InChIInChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3/b10-8-
InChIKeyKVDMQNUSKPRBGU-NTMALXAHSA-N
XLogP2.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride (CID 11206217) is (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride is COc1ccccc1/C(Cl)=N/O.
What is the InChIKey of (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
The InChIKey is KVDMQNUSKPRBGU-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3/b10-8-.
What are the key properties of (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride has a molecular weight of 185.61 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 11206217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).