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88514-88-9 | 1-Naphthalenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-
CAS No: 88514-88-9 Catalog No: AG0048JW MDL No:
Product Description
Catalog Number:
AG0048JW
Chemical Name:
1-Naphthalenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-
CAS Number:
88514-88-9
Molecular Formula:
C22H16N4O
Molecular Weight:
352.3886
IUPAC Name:
4-[5-(4-aminonaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-amine
InChI:
InChI=1S/C22H16N4O/c23-19-11-9-17(13-5-1-3-7-15(13)19)21-25-26-22(27-21)18-10-12-20(24)16-8-4-2-6-14(16)18/h1-12H,23-24H2
InChI Key:
FQNDLMLPYVPLPV-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1cccc2)c1nnc(o1)c1ccc(c2c1cccc2)N
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.397g/mol
Monoisotopic Mass:
352.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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