4-[3-(2-Chloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-1(2H)-yl]benzoic acid

Base Information

• Chemical Name: 4-[3-(2-Chloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-1(2H)-yl]benzoic acid
• CAS No.: 5050-74-8
• Molecular Formula: C20H17ClFN3O2
• Molecular Weight: 385.8193
• DSSTox Substance ID: DTXSID50422490

Synonyms:5050-74-8;DTXSID50422490;4-[3-(2-Chloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-1(2H)-yl]benzoic acid

Chemical Property of 4-[3-(2-Chloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-1(2H)-yl]benzoic acid

Chemical Property:

• Vapor Pressure: 4.51E-14mmHg at 25°C
• Boiling Point: 575.2°Cat760mmHg
• Flash Point: 301.7°C
• Density: 1.44g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 385.0993326
• Heavy Atom Count: 27
• Complexity: 531

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)O)C4=C(C=C(C=C4)F)Cl

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