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16672-19-8 | 1,2,4-Oxadiazol-5(2H)-one, 3-(4-bromophenyl)-
CAS No: 16672-19-8 Catalog No: AG001WWA MDL No:MFCD11504920
Product Description
Catalog Number:
AG001WWA
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-(4-bromophenyl)-
CAS Number:
16672-19-8
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD11504920
IUPAC Name:
3-(4-bromophenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H5BrN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChI Key:
INJVJPDDSBYUMW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1[nH]oc(=O)n1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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