(E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 6091-22-1
• Molecular Formula: C17H16BrNO2
• Molecular Weight: 346.2184
• DSSTox Substance ID: DTXSID10367454
• Wikidata: Q82153309

Synonyms:6091-22-1;(E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one;(2E)-3-[(4-BROMO-3-METHYLPHENYL)AMINO]-1-(4-METHOXYPHENYL)PROP-2-EN-1-ONE;ZINC00449499;Pilocarpine, sulfate (2:1);DTXSID10367454;SMSF0013778;STL583703;AKOS040894917;CB10030;BIM-0007413.P001;2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, sulfate (2:1)

Chemical Property of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.68E-08mmHg at 25°C
• Boiling Point: 456°Cat760mmHg
• Flash Point: 229.6°C
• Density: 1.377g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 345.03644
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC=CC(=O)C2=CC=C(C=C2)OC)Br
• Isomeric SMILES: CC1=C(C=CC(=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC)Br

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