beta-Alanine, N-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, methyl ester
• CAS No.: 86169-45-1
• Molecular Formula: C17H14ClF3N2O5
• Molecular Weight: 418.75
• DSSTox Substance ID: DTXSID7073692
• Wikidata: Q82002197

Synonyms:86169-45-1;beta-Alanine, N-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, methyl ester;.beta.-Alanine, N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-, methyl ester;beta-Alanine, N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-, methyl ester;DTXSID7073692;SCHEMBL10454657;FBBHAWNHHLSOQP-UHFFFAOYSA-N

Chemical Property of beta-Alanine, N-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, methyl ester

Chemical Property:

• PSA: 93.38000
• LogP: 5.63050
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 418.0543337
• Heavy Atom Count: 28
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

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