Benzoxazolium, 3-(2-carboxyethyl)-2-methyl-, bromide

Base Information

• Chemical Name: Benzoxazolium, 3-(2-carboxyethyl)-2-methyl-, bromide
• CAS No.: 68123-42-2
• Molecular Formula: C11H11NO3
• Molecular Weight: 286.12
• European Community (EC) Number: 268-559-5
• DSSTox Substance ID: DTXSID90887165
• Mol file: 68123-42-2.mol

Synonyms:68123-42-2;Benzoxazolium, 3-(2-carboxyethyl)-2-methyl-, bromide;3-CARBOXYETHYL-2-METHYLBENZOXAZOLIUM BROMIDE;3-(2-Carboxyethyl)-2-methylbenzoxazolium bromide;EINECS 268-559-5;3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid;bromide;Benzoxazolium, 3-(2-carboxyethyl)-2-methyl-, bromide (1:1);3-beta-Carboxyethyl-2-methylbenzoxazolium bromide;3-(2-Carboxyethyl)-2-methylbenzo[d]oxazol-3-ium bromide;3-CARBOXYETHYL-2-METHYLBENZOXAZOLIUMBROMIDE;C11H12NO3.Br;C11-H12-N-O3.Br;DTXSID90887165;AKOS027380480;3-Carboxyethyl- 2-methylbenzoxazolium bromide;3-(2-carboxyethyl)-2-methyl-1,3-benzoxazol-3-ium bromide

Chemical Property of Benzoxazolium, 3-(2-carboxyethyl)-2-methyl-, bromide

Chemical Property:

• PSA: 54.32000
• LogP: -1.49260
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.00006
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

3-CARBOXYETHYL-2-METHYLBENZOXAZOLIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=CC=CC=C2O1)CCC(=O)O.[Br-]