(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride

C13H9Cl3N2 — CID 12730127

IUPAC(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2/c14-9-6-7-11(12(15)8-9)13(16)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-
InChIKeyPYCKMJHPDJJXNS-AQTBWJFISA-N
MW299.59 g/mol
LogP5.01
Rot. Bonds3

About (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 12730127) has the molecular formula C13H9Cl3N2 and a molecular weight of 299.59 g/mol. Its IUPAC name is (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID12730127
Molecular FormulaC13H9Cl3N2
Molecular Weight299.59 g/mol
Exact Mass297.98
IUPAC Name(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2/c14-9-6-7-11(12(15)8-9)13(16)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-
InChIKeyPYCKMJHPDJJXNS-AQTBWJFISA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.59
LogP ≤ 55.01
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)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride (CID 12730127) is (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride is Cl/C(=N\Nc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is PYCKMJHPDJJXNS-AQTBWJFISA-N. The full InChI is InChI=1S/C13H9Cl3N2/c14-9-6-7-11(12(15)8-9)13(16)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-.
What are the key properties of (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 299.59 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,4-dichloro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 12730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).