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105592-84-5 | Acetamide, N,N'-[4-(phenylazo)-3,5-isoxazolediyl]bis-
CAS No: 105592-84-5 Catalog No: AG0084JJ MDL No:
Product Description
Catalog Number:
AG0084JJ
Chemical Name:
Acetamide, N,N'-[4-(phenylazo)-3,5-isoxazolediyl]bis-
CAS Number:
105592-84-5
Molecular Formula:
C13H13N5O3
Molecular Weight:
287.2740
IUPAC Name:
N-(3-acetamido-4-phenyldiazenyl-1,2-oxazol-5-yl)acetamide
InChI:
InChI=1S/C13H13N5O3/c1-8(19)14-12-11(13(21-18-12)15-9(2)20)17-16-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,20)(H,14,18,19)
InChI Key:
GAGMATAOAQWYNY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1onc(c1N=Nc1ccccc1)NC(=O)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.279g/mol
Monoisotopic Mass:
287.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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