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Home > Bromides > 1000339-27-4
1000339-27-4 | 1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(3-nitrophenyl)-
CAS No: 1000339-27-4 Catalog No: AG0000CL MDL No:MFCD09878377
Product Description
Catalog Number:
AG0000CL
Chemical Name:
1,2,4-Oxadiazole, 3-(2-bromophenyl)-5-(3-nitrophenyl)-
CAS Number:
1000339-27-4
Molecular Formula:
C14H8BrN3O3
Molecular Weight:
346.1356
MDL Number:
MFCD09878377
IUPAC Name:
3-(2-bromophenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrN3O3/c15-12-7-2-1-6-11(12)13-16-14(21-17-13)9-4-3-5-10(8-9)18(19)20/h1-8H
InChI Key:
ASDXLNFEXGGMBS-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1noc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
379
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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