methyl 2-butyl-1H-1,3-benzodiazole-6-carboxylate

Base Information

• Chemical Name: methyl 2-butyl-1H-1,3-benzodiazole-6-carboxylate
• CAS No.: 127007-36-7
• Molecular Formula: C13H16N2O2
• DSSTox Substance ID: DTXSID20563369
• Wikidata: Q82447795
• Mol file: 127007-36-7.mol

Synonyms:127007-36-7;methyl 2-butyl-1H-1,3-benzodiazole-6-carboxylate;methyl 2-butyl-3H-benzimidazole-5-carboxylate;1H-Benzimidazole-6-carboxylic acid, 2-butyl-, methyl ester;SCHEMBL8632161;DTXSID20563369;NTAJPXKGAMPIHG-UHFFFAOYSA-N;2-butyl-6-carbomethoxybenzimidazole;CFA00736;MFCD26523303;AKOS025393392;KH-0712;CS-0444002;Methyl 2-butyl-1H-benzimidazole-5-carboxylate;Methyl 2-butyl-1H-benzimidazole-6-carboxylate;methyl2-butyl-1H-1,3-benzodiazole-6-carboxylate;Methyl 2-butyl-1H-benzo[d]imidazole-6-carboxylate

Chemical Property of methyl 2-butyl-1H-1,3-benzodiazole-6-carboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=C(N1)C=C(C=C2)C(=O)OC