4-[(E)-(3-Bromo-4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Base Information

• Chemical Name: 4-[(E)-(3-Bromo-4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
• CAS No.: 5676-01-7
• Molecular Formula: C17H15BrN2O3
• Molecular Weight: 375.2166
• DSSTox Substance ID: DTXSID90416595
• Mol file: 5676-01-7.mol

Synonyms:5676-01-7;4-[(E)-(3-Bromo-4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;BAS 00732306;DTXSID90416595;HMS1584B05;STL387667;AKOS000364718;AKOS025250699;AB00093030-01;2-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Chemical Property of 4-[(E)-(3-Bromo-4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Chemical Property:

• Vapor Pressure: 6.5E-10mmHg at 25°C
• Boiling Point: 494.3°C at 760 mmHg
• Flash Point: 252.8°C
• PSA: 58.97000
• Density: 1.7g/cm³
• LogP: 2.53660
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 374.02660
• Heavy Atom Count: 23
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)Br
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=N/N2C(=O)C3C4CC(C3C2=O)C=C4)Br