1-phenoxy-N-[(phenoxycarbonyl)imino]formamide

• ChemBase ID: 112500
• Molecular Formular: C14H10N2O4
• Molecular Mass: 270.2402
• Monoisotopic Mass: 270.06405681
• SMILES: O=C(Oc1ccccc1)/N=N/C(=O)Oc1ccccc1
• Canonical SMILES: O=C(Oc1ccccc1)/N=N/C(=O)Oc1ccccc1
• InChI: InChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H
• InChIKey: WDZOPGZTGVJDMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenoxy-N-[(phenoxycarbonyl)imino]formamide
• IUPAC Traditional name: 1-phenoxy-N-[(phenoxycarbonyl)imino]formamide
• Synonyms: DIPHENYL AZO DICARBOXYLATE

Database IDs

• PubChem SID: 162106690
• PubChem CID: 5381145

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3756003
• LogD (pH = 7.4): 3.3756003
• Log P: 3.3756003
• Molar Refractivity: 68.5342 cm^3
• Polarizability: 26.823423 Å^3
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224434

MP Biomedicals Rare Chemical collection