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16013-07-3 | 1,2,4-Oxadiazole, 3-(4-bromophenyl)-
CAS No: 16013-07-3 Catalog No: AG001RPI MDL No:MFCD09027281
Product Description
Catalog Number:
AG001RPI
Chemical Name:
1,2,4-Oxadiazole, 3-(4-bromophenyl)-
CAS Number:
16013-07-3
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD09027281
IUPAC Name:
3-(4-bromophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
InChI Key:
OOQNOWMRFJKXTC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nocn1
Properties
Complexity:
148
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:
2.5
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