3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid

Base Information

• Chemical Name: 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
• CAS No.: 68979-78-2
• Molecular Formula: C11H10BrN3O2
• Molecular Weight: 296.12
• NSC Number: 199000
• DSSTox Substance ID: DTXSID10307956
• Wikidata: Q82055586
• ChEMBL ID: CHEMBL3278687

Synonyms:68979-78-2;NSC199000;CHEMBL3278687;DTXSID10307956;3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid;NSC-199000

Chemical Property of 3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid

Chemical Property:

• Vapor Pressure: 5.24E-13mmHg at 25°C
• Boiling Point: 551.7°Cat760mmHg
• Flash Point: 287.5°C
• Density: 1.648g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.99564
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C2=NNC(=N2)CCC(=O)O

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