CID 6506658

Base Information

• Chemical Name: CID 6506658
• CAS No.: 104459-82-7
• Molecular Formula: C19H16 Cl F3 N2 O7
• Molecular Weight: 476.7877
• Nikkaji Number: J372.952D
• Mol file: 104459-82-7.mol

Synonyms:AKH-7088;AKH 7088;104459-82-7;CID 6506658;SCHEMBL8187092

Chemical Property of CID 6506658

Chemical Property:

• Vapor Pressure: 8.96E-10mmHg at 25°C
• Boiling Point: 490.7°Cat760mmHg
• Flash Point: 250.5°C
• PSA: 112.17000
• Density: 1.41g/cm³
• LogP: 5.12260
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 476.0598130
• Heavy Atom Count: 32
• Complexity: 674

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(=NOCC(=O)OC)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
• Isomeric SMILES: COC/C(=N/OCC(=O)OC)/C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

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