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873090-18-7 | 5-(3-Bromophenyl);-3H-[1,3,4]oxadiazol-2-one
CAS No: 873090-18-7 Catalog No: AG004OQ9 MDL No:MFCD11865329
Product Description
Catalog Number:
AG004OQ9
Chemical Name:
5-(3-Bromophenyl);-3H-[1,3,4]oxadiazol-2-one
CAS Number:
873090-18-7
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD11865329
IUPAC Name:
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChI Key:
ZVWSHDFGLFCEID-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1n[nH]c(=O)o1
Properties
Complexity:
255
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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