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88185-02-8 | Benzenamine, 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 88185-02-8 Catalog No: AG004CDJ MDL No:
Product Description
Catalog Number:
AG004CDJ
Chemical Name:
Benzenamine, 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
88185-02-8
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14-17-18-15(19-14)12-4-2-3-5-13(12)16/h2-9H,16H2,1H3
InChI Key:
FBZLWXFHUXNOLB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc(o1)c1ccccc1N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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