chempirical

2-Bromo-1-ethoxymethylimidazole

C6H9BrN2OCAS 850429-54-8205.05 g/mol

Open in Covalent MOL file
ONNBr
Aryl halideEther

Properties

Molecular formula
C6H9BrN2O
Molar mass
205.05 g/mol
Exact mass
203.9898 Da
logP
1.64Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
850429-54-8
SMILES
CCOCN1C=CN=C1Br
InChIKey
FZLPPSCLJGMJCZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-1-ethoxymethylimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethoxymethyl-2-iodoimidazole146697-87-260 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-741 % similar N-Ethyl-2-methylimidazole21202-52-835 % similar 1-Propyl-2-methylimidazole33214-18-533 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-832 % similar 3-Bromo-2-ethoxypyridine57883-25-732 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-131 % similar 2-Bromo-1-(triphenylmethyl)-1H-imidazole67478-47-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook