1-(3-Amino-4-methoxyphenyl)-2,2,2-trifluoro-ethanone

Base Information

• Chemical Name: 1-(3-Amino-4-methoxyphenyl)-2,2,2-trifluoro-ethanone
• CAS No.: 709637-13-8
• Molecular Formula: C9H8 F3 N O2
• Molecular Weight: 219.1605296
• DSSTox Substance ID: DTXSID20393608
• Mol file: 709637-13-8.mol

Synonyms:709637-13-8;1-(3-amino-4-methoxyphenyl)-2,2,2-trifluoroethan-1-one;CBDivE_008952;1-(3-AMINO-4-METHOXYPHENYL)-2,2,2-TRIFLUORO-ETHANONE;ST50998194;1-(3-amino-4-methoxyphenyl)-2,2,2-trifluoroethanone;DTXSID20393608;AKOS022387504

Chemical Property of 1-(3-Amino-4-methoxyphenyl)-2,2,2-trifluoro-ethanone

Chemical Property:

• PSA: 52.32000
• LogP: 2.60360
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 219.05071298
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98% ^*data from raw suppliers

1-(3-AMINO-4-METHOXYPHENYL)-2,2,2-TRIFLUORO-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C(F)(F)F)N