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28884-17-5 | 3-Phenyl-5-(benzylthio)isoxazole
CAS No: 28884-17-5 Catalog No: AG00CF0E MDL No:
Product Description
Catalog Number:
AG00CF0E
Chemical Name:
3-Phenyl-5-(benzylthio)isoxazole
CAS Number:
28884-17-5
IUPAC Name:
5-benzylsulfanyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
InChI Key:
TZGSQRNPJUQWND-UHFFFAOYSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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