4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide

C₁₀H₁₁BrClN₃O₄ — CID 63569638

About 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide

4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide (PubChem CID 63569638) has the molecular formula C₁₀H₁₁BrClN₃O₄ and a molecular weight of 352.57 g/mol. Its IUPAC name is 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide.

Molecular Properties

• Compound Name: 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
• PubChem CID: 63569638
• Molecular Formula: C₁₀H₁₁BrClN₃O₄
• Molecular Weight: 352.57 g/mol
• Exact Mass: 350.96
• IUPAC Name: 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide
• SMILES: NNC(=O)CCCOc1c(Br)cc(Cl)cc1[N+](=O)[O-]
• InChI: InChI=1S/C10H11BrClN3O4/c11-7-4-6(12)5-8(15(17)18)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16)
• InChIKey: FPAHSJHNRVJHCL-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 107.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.57
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide?

The IUPAC name of 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide (CID 63569638) is 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide.

What is the SMILES notation for 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide?

The canonical SMILES for 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide is NNC(=O)CCCOc1c(Br)cc(Cl)cc1[N+](=O)[O-].

What is the InChIKey of 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide?

The InChIKey is FPAHSJHNRVJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O4/c11-7-4-6(12)5-8(15(17)18)10(7)19-3-1-2-9(16)14-13/h4-5H,1-3,13H2,(H,14,16).

What are the key properties of 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide?

4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide has a molecular weight of 352.57 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bromo-4-chloro-6-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 63569638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63569638 — identifiers, structure, computed properties (public domain)

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