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682745-92-2 | 5(4H)-Isoxazolone, 3-methyl-4-[[4-[1-(2-thiazolylimino)ethyl]phenyl]azo]-
CAS No: 682745-92-2 Catalog No: AG006CY6 MDL No:
Product Description
Catalog Number:
AG006CY6
Chemical Name:
5(4H)-Isoxazolone, 3-methyl-4-[[4-[1-(2-thiazolylimino)ethyl]phenyl]azo]-
CAS Number:
682745-92-2
Molecular Formula:
C15H13N5O2S
Molecular Weight:
327.3610
IUPAC Name:
3-methyl-4-[[4-[C-methyl-N-(1,3-thiazol-2-yl)carbonimidoyl]phenyl]diazenyl]-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C15H13N5O2S/c1-9(17-15-16-7-8-23-15)11-3-5-12(6-4-11)18-19-13-10(2)20-22-14(13)21/h3-8,13H,1-2H3
InChI Key:
KFVVKYPCJDVXLM-UHFFFAOYSA-N
SMILES:
CC(=Nc1nccs1)c1ccc(cc1)N=NC1C(=O)ON=C1C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.362g/mol
Monoisotopic Mass:
327.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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