2-(3-Chloro-4-methylphenyl)-1,3-benzoxazole

Base Information

• Chemical Name: 2-(3-Chloro-4-methylphenyl)-1,3-benzoxazole
• CAS No.: 42196-67-8
• Molecular Formula: C14H10ClNO
• Molecular Weight: 243.68800
• DSSTox Substance ID: DTXSID80484046
• Wikidata: Q82322018
• Mol file: 42196-67-8.mol

Synonyms:2-(3-chloro-4-methylphenyl)-1,3-benzoxazole;42196-67-8;Benzoxazole, 2-(3-chloro-4-methylphenyl)-;2-(3-Chloro-4-methyl-phenyl)-benzooxazole;SCHEMBL5832955;DTXSID80484046;AKOS000299524;2-(3-Chloro-4-methylphenyl)benzo[d]oxazole;BB 0244652;AP-970/43482583

Chemical Property of 2-(3-Chloro-4-methylphenyl)-1,3-benzoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 4.45660
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.0450916
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)Cl