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2491-97-6 | Phenol, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[4-bromo-
CAS No: 2491-97-6 Catalog No: AG002PU3 MDL No:
Product Description
Catalog Number:
AG002PU3
Chemical Name:
Phenol, 2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[4-bromo-
CAS Number:
2491-97-6
Molecular Formula:
C14H8Br2N2O3
Molecular Weight:
412.0329
IUPAC Name:
4-bromo-2-[5-(5-bromo-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
InChI:
InChI=1S/C14H8Br2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H
InChI Key:
LOIOFWBMNVCWJP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1nnc(o1)c1cc(Br)ccc1O)Br
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.888g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.037g/mol
Monoisotopic Mass:
409.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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