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893638-55-6 | ethyl 4-bromo-1,2-oxazole-3-carboxylate
CAS No: 893638-55-6 Catalog No: AG01ELBD MDL No:MFCD08701231
Product Description
Catalog Number:
AG01ELBD
Chemical Name:
ethyl 4-bromo-1,2-oxazole-3-carboxylate
CAS Number:
893638-55-6
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
MDL Number:
MFCD08701231
IUPAC Name:
ethyl 4-bromo-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H6BrNO3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2H2,1H3
InChI Key:
GLTWBIWDOCPSEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nocc1Br
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
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