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1263279-50-0 | 1,2,4-Oxadiazole, 5-bromo-3-phenyl-
CAS No: 1263279-50-0 Catalog No: AG000SL9 MDL No:MFCD17677037
Product Description
Catalog Number:
AG000SL9
Chemical Name:
1,2,4-Oxadiazole, 5-bromo-3-phenyl-
CAS Number:
1263279-50-0
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD17677037
IUPAC Name:
5-bromo-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C8H5BrN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
YIZUZAUECBVCII-UHFFFAOYSA-N
SMILES:
Brc1onc(n1)c1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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