4-Nitrobenzoate

Base Information

• Chemical Name: 4-Nitrobenzoate
• CAS No.: 7227-54-5
• Molecular Formula: C8H16 N6 S2
• DSSTox Substance ID: DTXSID20403094
• Wikidata: Q82206665

Synonyms:4-nitrobenzoate;4NBZate;7227-54-5;CHEMBL1762655;p-nitrophenylformate;SCHEMBL187708;DTXSID20403094;CHEBI:142863;OTLNPYWUJOZPPA-UHFFFAOYSA-M;BDBM50340073;PD013381;A833662

Chemical Property of 4-Nitrobenzoate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 166.01403261
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

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