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915920-56-8 | 3-[3-(2-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ANILINE
CAS No: 915920-56-8 Catalog No: AG006GLE MDL No:MFCD08691836
Product Description
Catalog Number:
AG006GLE
Chemical Name:
3-[3-(2-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ANILINE
CAS Number:
915920-56-8
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
MDL Number:
MFCD08691836
IUPAC Name:
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
InChI:
InChI=1S/C15H13N3O/c1-10-5-2-3-8-13(10)14-17-15(19-18-14)11-6-4-7-12(16)9-11/h2-9H,16H2,1H3
InChI Key:
IGMJMEQGMYPTHV-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1onc(n1)c1ccccc1C
Properties
Complexity:
299
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:
3.1
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