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Home > Bromides > 1086376-39-7
1086376-39-7 | 5-(5-Bromo-2-furyl)-1,3,4-oxadiazol-2(3H)-one
CAS No: 1086376-39-7 Catalog No: AG01FA7W MDL No:
Product Description
Catalog Number:
AG01FA7W
Chemical Name:
5-(5-Bromo-2-furyl)-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1086376-39-7
Molecular Formula:
C6H3BrN2O3
Molecular Weight:
231.0036
IUPAC Name:
5-(5-bromofuran-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C6H3BrN2O3/c7-4-2-1-3(11-4)5-8-9-6(10)12-5/h1-2H,(H,9,10)
InChI Key:
ONIURGKLVHPEJL-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)c1n[nH]c(=O)o1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.933g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.005g/mol
Monoisotopic Mass:
229.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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