1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine

C₁₂H₇BrCl₂N₄O₄ — CID 170430604

About 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine

1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine (PubChem CID 170430604) has the molecular formula C₁₂H₇BrCl₂N₄O₄ and a molecular weight of 422.02 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine.

Molecular Properties

• Compound Name: 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
• PubChem CID: 170430604
• Molecular Formula: C₁₂H₇BrCl₂N₄O₄
• Molecular Weight: 422.02 g/mol
• Exact Mass: 419.90
• IUPAC Name: 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
• SMILES: O=[N+]([O-])c1c(Cl)cccc1NNc1ccc(Br)c(Cl)c1[N+](=O)[O-]
• InChI: InChI=1S/C12H7BrCl2N4O4/c13-6-4-5-9(12(10(6)15)19(22)23)17-16-8-3-1-2-7(14)11(8)18(20)21/h1-5,16-17H
• InChIKey: RKMHHCKJVKYRPP-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 110.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.02
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?

The IUPAC name of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine (CID 170430604) is 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine.

What is the SMILES notation for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?

The canonical SMILES for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine is O=[N+]([O-])c1c(Cl)cccc1NNc1ccc(Br)c(Cl)c1[N+](=O)[O-].

What is the InChIKey of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?

The InChIKey is RKMHHCKJVKYRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N4O4/c13-6-4-5-9(12(10(6)15)19(22)23)17-16-8-3-1-2-7(14)11(8)18(20)21/h1-5,16-17H.

What are the key properties of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?

1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine has a molecular weight of 422.02 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine is sourced from PubChem (CID 170430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170430604 — identifiers, structure, computed properties (public domain)

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