2-(5,6-Difluoro-1H-indol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(5,6-Difluoro-1H-indol-3-yl)acetic acid
• CAS No.: 126030-73-7
• Molecular Formula: C10H7F2NO2
• Molecular Weight: 211.16
• DSSTox Substance ID: DTXSID50562603
• Wikidata: Q72463017
• Mol file: 126030-73-7.mol

Synonyms:2-(5,6-Difluoro-1H-indol-3-yl)acetic acid;126030-73-7;5,6-Difluoroindole-3-acetic acid;5,6-Difluoro-1H-indole-3-acetic acid;C10H7F2NO2;MFCD09954804;1H-Indole-3-acetic acid, 5,6-difluoro-;2-(5,6-Difluoro-1H-indol-3-yl)aceticacid;SCHEMBL14484644;DTXSID50562603;VZWMUWNMZOYMFC-UHFFFAOYSA-N;AKOS016007189;DS-17677;(5,6-Difluoro-1H-indol-3-yl)acetic acid;CS-0036046;F15600;A889864

Chemical Property of 2-(5,6-Difluoro-1H-indol-3-yl)acetic acid

Chemical Property:

• Boiling Point: 423.037 °C at 760 mmHg
• PKA: 4.30±0.30(Predicted)
• Flash Point: 209.646 °C
• PSA: 53.09000
• Density: 1.533 g/cm³
• LogP: 2.07320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.04448479
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

2-(5,6-Difluoro-1H-indol-3-yl)acetic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1F)F)NC=C2CC(=O)O