Home Carboxys Ethyl 2-iodooxazole-4-carboxylate

Ethyl 2-iodooxazole-4-carboxylate

CAS No.:
1107663-03-5
Catalog Number:
AG00HBRS
Molecular Formula:
C6H6INO3
Molecular Weight:
267.0212
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Product Description
Catalog Number:
AG00HBRS
Chemical Name:
Ethyl 2-iodooxazole-4-carboxylate
CAS Number:
1107663-03-5
Molecular Formula:
C6H6INO3
Molecular Weight:
267.0212
MDL Number:
MFCD20133951
IUPAC Name:
ethyl 2-iodo-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C6H6INO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key:
OGYIDEIMHPHYDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)I
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.939g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.022g/mol
Monoisotopic Mass:
266.939g/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  
Literature
Title Journal
Total synthesis of enigmazole A from Cinachyrella enigmatica. Bidirectional bond constructions with an ambident 2,4-disubstituted oxazole synthon. Journal of the American Chemical Society 20100804
Thiazole and oxazole alkaloids: isolation and synthesis. Marine drugs 20100101
Properties