2-[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid

Base Information

• Chemical Name: 2-[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
• CAS No.: 339016-33-0
• Molecular Formula: C17H14 Cl N O2
• Molecular Weight: 299.75
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60377381
• Wikidata: Q27453244
• ChEMBL ID: CHEMBL186124
• Mol file: 339016-33-0.mol

Synonyms:339016-33-0;2-[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid;2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic Acid;2-(1-(3-Chlorobenzyl)-1H-indol-3-yl)acetic acid;[1-(3-Chloro-benzyl)-1H-indol-3-yl]-acetic acid;CHEMBL186124;[1-(3-Chlorobenzyl)-1h-Indol-3-Yl]acetic Acid;2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}acetic acid;4ok3;Oprea1_613876;MLS000755123;SCHEMBL6893171;DTXSID60377381;HMS2612B16;BDBM50154216;MFCD00794689;AKOS000262395;AB07143;SMR000337995;FT-0680569;7L-909;2-[1-(3-Chlorobenzyl)-1H-indol-3-yl]aceticacid;A821993;J-505275;Q27453244;{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}acetic acid;2SY

Chemical Property of 2-[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid

Chemical Property:

• Vapor Pressure: 8.38E-12mmHg at 25°C
• Melting Point: 105-107°C
• Boiling Point: 523.9°Cat760mmHg
• Flash Point: 270.6°C
• PSA: 42.23000
• Density: 1.27g/cm³
• LogP: 3.97010
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 299.0713064
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

98%min ^*data from raw suppliers

2-[1-(3-Chlorobenzyl)-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=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC(=O)O