4-Chloro-4-oxobutyl nitrate

Base Information

• Chemical Name: 4-Chloro-4-oxobutyl nitrate
• CAS No.: 104963-53-3
• Molecular Formula: C4H6ClNO4
• Molecular Weight: 167.549
• DSSTox Substance ID: DTXSID50545936
• Wikidata: Q82423583
• Mol file: 104963-53-3.mol

Synonyms:4-chloro-4-oxobutyl nitrate;104963-53-3;4-nitrooxybutanoyl chloride;4-(nitrooxy)butanoyl chloride;SCHEMBL5039623;DTXSID50545936;LZORUHRPGJADOA-UHFFFAOYSA-N

Chemical Property of 4-Chloro-4-oxobutyl nitrate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 166.9985354
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C(CC(=O)Cl)CO[N+](=O)[O-]

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