4-(Hexan-2-YL)-2,6-dinitrophenol

Base Information

• Chemical Name: 4-(Hexan-2-YL)-2,6-dinitrophenol
• CAS No.: 62506-56-3
• Molecular Formula: C12H16N2O5
• DSSTox Substance ID: DTXSID30562585

Synonyms:62506-56-3;4-(HEXAN-2-YL)-2,6-DINITROPHENOL;DTXSID30562585

Chemical Property of 4-(Hexan-2-YL)-2,6-dinitrophenol

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 268.10592162
• Heavy Atom Count: 19
• Complexity: 301

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

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