2-(3-Bromo-5-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Bromo-5-fluorophenyl)acetic acid
• CAS No.: 202000-99-5
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.0344432
• Hs Code.: 2916399090
• European Community (EC) Number: 871-627-2
• DSSTox Substance ID: DTXSID40572019
• Nikkaji Number: J905.524J
• Wikidata: Q72455776
• Mol file: 202000-99-5.mol

Synonyms:202000-99-5;2-(3-bromo-5-fluorophenyl)acetic acid;3-Bromo-5-fluorophenylacetic acid;Benzeneacetic acid, 3-bromo-5-fluoro-;MFCD09258961;2-(3-Bromo-5-fluoro-phenyl)acetic acid;3-Bromo-5-fluorophenyiacetic acid;3-Bromo-5-fluorophenylaceticacid;(3-bromo-5-fluorophenyl)acetic acid;SCHEMBL1560270;DTXSID40572019;JWWAJSAOIABGKW-UHFFFAOYSA-N;AKOS015995516;AB49786;AM62263;PS-7690;SY026874;CS-0037458;3-bromo-5-fluorophenylacetic acid, AldrichCPR;EN300-206763;A854174;Z1269139128

Chemical Property of 2-(3-Bromo-5-fluorophenyl)acetic acid

Chemical Property:

• Boiling Point: 317.1±27.0 °C(Predicted)
• PKA: 3.92±0.10(Predicted)
• PSA: 37.30000
• Density: 1.697
• LogP: 2.21530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-fluorophenylaceticacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)Br)CC(=O)O