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1216958-28-9 | Ethyl 5-(4-Bromobenzyl)-1,2,4-oxadiazole-3-carboxylate
CAS No: 1216958-28-9 Catalog No: AG01F7WU MDL No:
Product Description
Catalog Number:
AG01F7WU
Chemical Name:
Ethyl 5-(4-Bromobenzyl)-1,2,4-oxadiazole-3-carboxylate
CAS Number:
1216958-28-9
Molecular Formula:
C12H11BrN2O3
Molecular Weight:
311.1313
IUPAC Name:
ethyl 5-[(4-bromophenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C12H11BrN2O3/c1-2-17-12(16)11-14-10(18-15-11)7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChI Key:
MCNJGCNXCFVFOQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)Cc1ccc(cc1)Br
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.135g/mol
Monoisotopic Mass:
309.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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