(1Z)-N-phenylethanehydrazonoyl chloride

C8H9ClN2 — CID 20577190

IUPAC(1Z)-N-phenylethanehydrazonoyl chloride
SMILESC/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C8H9ClN2/c1-7(9)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3/b10-7-
InChIKeyCQLRNMNQWLWUKA-YFHOEESVSA-N
MW168.63 g/mol
LogP2.67
Rot. Bonds2

About (1Z)-N-phenylethanehydrazonoyl chloride

(1Z)-N-phenylethanehydrazonoyl chloride (PubChem CID 20577190) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is (1Z)-N-phenylethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N-phenylethanehydrazonoyl chloride
PubChem CID20577190
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name(1Z)-N-phenylethanehydrazonoyl chloride
SMILESC/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C8H9ClN2/c1-7(9)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3/b10-7-
InChIKeyCQLRNMNQWLWUKA-YFHOEESVSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
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 (1Z)-N-phenylethanehydrazonoyl chloride?
The IUPAC name of (1Z)-N-phenylethanehydrazonoyl chloride (CID 20577190) is (1Z)-N-phenylethanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-N-phenylethanehydrazonoyl chloride?
The canonical SMILES for (1Z)-N-phenylethanehydrazonoyl chloride is C/C(Cl)=N/Nc1ccccc1.
What is the InChIKey of (1Z)-N-phenylethanehydrazonoyl chloride?
The InChIKey is CQLRNMNQWLWUKA-YFHOEESVSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-7(9)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3/b10-7-.
What are the key properties of (1Z)-N-phenylethanehydrazonoyl chloride?
(1Z)-N-phenylethanehydrazonoyl chloride has a molecular weight of 168.63 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-phenylethanehydrazonoyl chloride is sourced from PubChem (CID 20577190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).