Home Other Building Blocks 3-(7-BROMO-1,3-DIOXAINDAN-5-YL)-4,5-DIHYDRO-1,2,4-OXADIAZOL-5-ONE

3-(7-BROMO-1,3-DIOXAINDAN-5-YL)-4,5-DIHYDRO-1,2,4-OXADIAZOL-5-ONE

CAS No.:
1178773-51-7
Catalog Number:
AG01EL93
Molecular Formula:
C9H5BrN2O4
Molecular Weight:
285.0510
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Product Description
Catalog Number:
AG01EL93
Chemical Name:
3-(7-BROMO-1,3-DIOXAINDAN-5-YL)-4,5-DIHYDRO-1,2,4-OXADIAZOL-5-ONE
CAS Number:
1178773-51-7
Molecular Formula:
C9H5BrN2O4
Molecular Weight:
285.0510
MDL Number:
MFCD12774188
IUPAC Name:
3-(7-bromo-1,3-benzodioxol-5-yl)-1,2,4-oxadiazolidin-5-one
InChI:
InChI=1S/C9H7BrN2O4/c10-5-1-4(8-11-9(13)16-12-8)2-6-7(5)15-3-14-6/h1-2,8,12H,3H2,(H,11,13)
InChI Key:
JSEBQVNYKALULA-UHFFFAOYSA-N
SMILES:
O=c1onc([nH]1)c1cc(Br)c2c(c1)OCO2
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.959g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.069g/mol
Monoisotopic Mass:
285.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties