1-[(4-Nitrophenyl)sulfanyl]-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-[(4-Nitrophenyl)sulfanyl]-3-(trifluoromethyl)benzene
• CAS No.: 61405-53-6
• Molecular Formula: C13H8F3NO2S
• Molecular Weight: 299.26800
• DSSTox Substance ID: DTXSID60395207
• Nikkaji Number: J1.848.595H
• Wikidata: Q82195141
• Mol file: 61405-53-6.mol

Synonyms:61405-53-6;1-[(4-nitrophenyl)sulfanyl]-3-(trifluoromethyl)benzene;9G-324S;1-(4-nitrophenyl)sulfanyl-3-(trifluoromethyl)benzene;SCHEMBL11664097;DTXSID60395207;HYWHMWOLHGMXLY-UHFFFAOYSA-N;MFCD00172344;AKOS005105035;4-Nitrophenyl[3-(trifluoromethyl)phenyl] sulfide;1-nitro-4-{[3-(trifluoromethyl)phenyl]sulfanyl}benzene

Chemical Property of 1-[(4-Nitrophenyl)sulfanyl]-3-(trifluoromethyl)benzene

Chemical Property:

• PSA: 71.12000
• LogP: 5.28800
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 299.02278416
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F