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429624-16-8 | 3-(4-Bromophenyl);-5-(3-nitrophenyl);-1,2,4-oxadiazole
CAS No: 429624-16-8 Catalog No: AG003I3D MDL No:MFCD02921806
Product Description
Catalog Number:
AG003I3D
Chemical Name:
3-(4-Bromophenyl);-5-(3-nitrophenyl);-1,2,4-oxadiazole
CAS Number:
429624-16-8
Molecular Formula:
C14H8BrN3O3
Molecular Weight:
346.1356
MDL Number:
MFCD02921806
IUPAC Name:
3-(4-bromophenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrN3O3/c15-11-6-4-9(5-7-11)13-16-14(21-17-13)10-2-1-3-12(8-10)18(19)20/h1-8H
InChI Key:
DBJSUPPXHAHSSP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.975g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.14g/mol
Monoisotopic Mass:
344.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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