4-chloro-3-pyrrolidin-1-yl-benzoic Acid

Base Information

• Chemical Name: 4-chloro-3-pyrrolidin-1-yl-benzoic Acid
• CAS No.: 107946-68-9
• Molecular Formula: C11H12ClNO2
• Molecular Weight: 225.67100
• DSSTox Substance ID: DTXSID80428086
• Nikkaji Number: J588.588D
• Wikidata: Q82240866
• Mol file: 107946-68-9.mol

Synonyms:107946-68-9;4-chloro-3-pyrrolidin-1-yl-benzoic Acid;4-chloro-3-pyrrolidin-1-ylbenzoic acid;Benzoic acid, 4-chloro-3-(1-pyrrolidinyl)-;4-chloro-3-(pyrrolidin-1-yl)benzoic acid;DTXSID80428086;AKOS000101325;3-(1-Pyrrolidinyl)-4-chlorobenzoic acid;4-chloro-3-(pyrrolidin-1-yl)benzoicacid

Chemical Property of 4-chloro-3-pyrrolidin-1-yl-benzoic Acid

Chemical Property:

• PSA: 40.54000
• LogP: 2.70340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-3-pyrrolidin-1-yl-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=C(C=CC(=C2)C(=O)O)Cl