Home Halogens 4-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester

4-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester

CAS No.:
111303-36-7
Catalog Number:
AG007TAE
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
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Product Description
Catalog Number:
AG007TAE
Chemical Name:
4-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester
CAS Number:
111303-36-7
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
MDL Number:
MFCD09864883
IUPAC Name:
ethyl 3-bromo-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-3-11-8-5(4)7/h3H,2H2,1H3
InChI Key:
XLFLPPMXDQEXMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1conc1Br
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.953g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.022g/mol
Monoisotopic Mass:
218.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties