3-(4-Fluorophenyl)isoxazole-5-carbaldehyde

Base Information

• Chemical Name: 3-(4-Fluorophenyl)isoxazole-5-carbaldehyde
• CAS No.: 251912-65-9
• Molecular Formula: C₁₀H₆FNO₂
• Molecular Weight: 191.162
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20573509
• Nikkaji Number: J1.184.363H
• Wikidata: Q82462248
• Mol file: 251912-65-9.mol

Synonyms:3-(4-Fluorophenyl)isoxazole-5-carbaldehyde;251912-65-9;3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE;3-(4-Fluorophenyl)-1,2-oxazole-5-carbaldehyde;5-Isoxazolecarboxaldehyde, 3-(4-fluorophenyl)-;SCHEMBL20507136;DTXSID20573509;MFCD11506179;AKOS006323753;SB36188;CS-0450149;3-(4-Fluorophenyl)isoxazole-5-carboxaldehyde;EN300-380580;F87251

Chemical Property of 3-(4-Fluorophenyl)isoxazole-5-carbaldehyde

Chemical Property:

• PSA: 43.10000
• LogP: 2.29320
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 191.03825660
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Fluoro-phenyl)-isoxazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=C2)C=O)F