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Home > Aldehydes > 131491-73-1
131491-73-1 | Benzaldehyde, 3,3'-(1,3,4-oxadiazole-2,5-diyl)bis-
CAS No: 131491-73-1 Catalog No: AG000WAU MDL No:
Product Description
Catalog Number:
AG000WAU
Chemical Name:
Benzaldehyde, 3,3'-(1,3,4-oxadiazole-2,5-diyl)bis-
CAS Number:
131491-73-1
Molecular Formula:
C16H10N2O3
Molecular Weight:
278.2622
IUPAC Name:
3-[5-(3-formylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde
InChI:
InChI=1S/C16H10N2O3/c19-9-11-3-1-5-13(7-11)15-17-18-16(21-15)14-6-2-4-12(8-14)10-20/h1-10H
InChI Key:
XYGHNDZITAIJJX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nnc(o1)c1cccc(c1)C=O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.267g/mol
Monoisotopic Mass:
278.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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