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74099-12-0 | Isoxazole, 5-(methylthio)-3-phenyl-4-(phenylazo)-
CAS No: 74099-12-0 Catalog No: AG0059KZ MDL No:
Product Description
Catalog Number:
AG0059KZ
Chemical Name:
Isoxazole, 5-(methylthio)-3-phenyl-4-(phenylazo)-
CAS Number:
74099-12-0
Molecular Formula:
C16H13N3OS
Molecular Weight:
295.3589
IUPAC Name:
(5-methylsulfanyl-3-phenyl-1,2-oxazol-4-yl)-phenyldiazene
InChI:
InChI=1S/C16H13N3OS/c1-21-16-15(18-17-13-10-6-3-7-11-13)14(19-20-16)12-8-4-2-5-9-12/h2-11H,1H3
InChI Key:
XLQZAXLWBAOCCS-UHFFFAOYSA-N
SMILES:
CSc1onc(c1N=Nc1ccccc1)c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.36g/mol
Monoisotopic Mass:
295.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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