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


Chemical Name: ethyl 2-bromo-1,3-oxazole-4-carboxylate
CAS Number: 460081-20-3
Product Number: AG003Q3N(AGN-PC-0570D5)
Synonyms:
MDL No: MFCD09801023
Molecular Formula: C6H6BrNO3
Molecular Weight: 220.0207

Identification/Properties


Properties
BP:
272°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
220.022g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.953g/mol
Monoisotopic Mass:
218.953g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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