2-Chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid

Base Information

• Chemical Name: 2-Chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid
• CAS No.: 876709-11-4
• Molecular Formula: C12H10ClNO3
• Molecular Weight: 251.67
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10389954
• Wikidata: Q82186259
• Mol file: 876709-11-4.mol

Synonyms:2-Chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid;876709-11-4;2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid;2-Chloro-5-(3,5-dimethylisoxazol-4-yl)benzoic acid;HMS1697E14;DTXSID10389954;AKOS005153339;2-Chloro-5-(3,5-dimethylisoxazol-4-yl)benzoicacid;2-chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid, AldrichCPR

Chemical Property of 2-Chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid

Chemical Property:

• PSA: 63.33000
• LogP: 3.31000
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-5-(3,5-dimethyl-isoxazol-4-yl)-benzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)C2=CC(=C(C=C2)Cl)C(=O)O