(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride

C9H10ClNO2 — CID 12024113

IUPAC(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
SMILESCCOc1cccc(/C(Cl)=N/O)c1
InChIInChI=1S/C9H10ClNO2/c1-2-13-8-5-3-4-7(6-8)9(10)11-12/h3-6,12H,2H2,1H3/b11-9-
InChIKeyMCVBSWAELGJUKG-LUAWRHEFSA-N
MW199.64 g/mol
LogP2.46
Rot. Bonds3

About (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride

(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 12024113) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
PubChem CID12024113
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
SMILESCCOc1cccc(/C(Cl)=N/O)c1
InChIInChI=1S/C9H10ClNO2/c1-2-13-8-5-3-4-7(6-8)9(10)11-12/h3-6,12H,2H2,1H3/b11-9-
InChIKeyMCVBSWAELGJUKG-LUAWRHEFSA-N
XLogP2.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.46
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)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride (CID 12024113) is (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride is CCOc1cccc(/C(Cl)=N/O)c1.
What is the InChIKey of (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is MCVBSWAELGJUKG-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-13-8-5-3-4-7(6-8)9(10)11-12/h3-6,12H,2H2,1H3/b11-9-.
What are the key properties of (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride?
(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 199.64 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 12024113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).