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121562-09-2 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-bromo-, ethyl ester
CAS No: 121562-09-2 Catalog No: AG00159J MDL No:MFCD06795880
Product Description
Catalog Number:
AG00159J
Chemical Name:
1,2,4-Oxadiazole-5-carboxylic acid, 3-bromo-, ethyl ester
CAS Number:
121562-09-2
Molecular Formula:
C5H5BrN2O3
Molecular Weight:
221.0088
MDL Number:
MFCD06795880
IUPAC Name:
ethyl 3-bromo-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C5H5BrN2O3/c1-2-10-4(9)3-7-5(6)8-11-3/h2H2,1H3
InChI Key:
SVPHHQVOADRTJA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(no1)Br
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.948g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.01g/mol
Monoisotopic Mass:
219.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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