(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride

C13H8Cl4N2 — CID 5375328

IUPAC(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
SMILESCl/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13+
InChIKeyQVMATSPQIBFRPZ-CPNJWEJPSA-N
MW334.03 g/mol
LogP5.66
Rot. Bonds3

About (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride

(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride (PubChem CID 5375328) has the molecular formula C13H8Cl4N2 and a molecular weight of 334.03 g/mol. Its IUPAC name is (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
PubChem CID5375328
Molecular FormulaC13H8Cl4N2
Molecular Weight334.03 g/mol
Exact Mass331.94
IUPAC Name(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
SMILESCl/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13+
InChIKeyQVMATSPQIBFRPZ-CPNJWEJPSA-N
XLogP5.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.03
LogP ≤ 55.66
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 (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride (CID 5375328) is (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride is Cl/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is QVMATSPQIBFRPZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13+.
What are the key properties of (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride?
(E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 334.03 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 5375328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).