Ethyl 2-bromo-1,3-oxazole-4-carboxylate

C6H6BrNO3CAS 460081-20-3220.02 g/mol

Open in Covalent MOL file
OOONBr
Aryl halideEster

Properties

Molecular formula
C6H6BrNO3
Molar mass
220.02 g/mol
Exact mass
218.9531 Da
logP
1.61Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
460081-20-3
SMILES
CCOC(=O)C1=COC(=N1)Br
InChIKey
SGIBUKNPAQMWAP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

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Work with Ethyl 2-bromo-1,3-oxazole-4-carboxylate

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

Ethyl 2-amino-1,3-oxazole-4-carboxylate177760-52-064 % similar Ethyl 2-chlorooxazole-4-carboxylate460081-18-964 % similar Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate200400-76-654 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-954 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-353 % similar Ethyl oxazole-4-carboxylate23012-14-853 % similar Ethyl 6-bromopicolinate21190-88-552 % similar Ethyl 5-bromopicolinate77199-09-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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