(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride

C9H9Cl2NO — CID 87632893

IUPAC(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(CCCl)cc1
InChIInChI=1S/C9H9Cl2NO/c10-6-5-7-1-3-8(4-2-7)9(11)12-13/h1-4,13H,5-6H2/b12-9-
InChIKeyAVNRGZCBKGEPTE-XFXZXTDPSA-N
MW218.08 g/mol
LogP2.84
Rot. Bonds3

About (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride

(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 87632893) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride
PubChem CID87632893
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(CCCl)cc1
InChIInChI=1S/C9H9Cl2NO/c10-6-5-7-1-3-8(4-2-7)9(11)12-13/h1-4,13H,5-6H2/b12-9-
InChIKeyAVNRGZCBKGEPTE-XFXZXTDPSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride (CID 87632893) is (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride is O/N=C(\Cl)c1ccc(CCCl)cc1.
What is the InChIKey of (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is AVNRGZCBKGEPTE-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-6-5-7-1-3-8(4-2-7)9(11)12-13/h1-4,13H,5-6H2/b12-9-.
What are the key properties of (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride?
(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 218.08 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 87632893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).