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124559-05-3 | 3-Isoxazolamine, 5-methyl-4-[2-(2-methylphenyl)diazenyl]-N-phenyl-
CAS No: 124559-05-3 Catalog No: AG000M7U MDL No:
Product Description
Catalog Number:
AG000M7U
Chemical Name:
3-Isoxazolamine, 5-methyl-4-[2-(2-methylphenyl)diazenyl]-N-phenyl-
CAS Number:
124559-05-3
Molecular Formula:
C17H16N4O
Molecular Weight:
292.3351
IUPAC Name:
5-methyl-4-[(2-methylphenyl)diazenyl]-N-phenyl-1,2-oxazol-3-amine
InChI:
InChI=1S/C17H16N4O/c1-12-8-6-7-11-15(12)19-20-16-13(2)22-21-17(16)18-14-9-4-3-5-10-14/h3-11H,1-2H3,(H,18,21)
InChI Key:
HXTAHNWVQXCWEX-UHFFFAOYSA-N
SMILES:
Cc1onc(c1N=Nc1ccccc1C)Nc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.342g/mol
Monoisotopic Mass:
292.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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