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832078-26-9 | Oxazole, 5-(3-furanyl)-2-[(6-phenylhexyl)sulfonyl]-
CAS No: 832078-26-9 Catalog No: AG005975 MDL No:
Product Description
Catalog Number:
AG005975
Chemical Name:
Oxazole, 5-(3-furanyl)-2-[(6-phenylhexyl)sulfonyl]-
CAS Number:
832078-26-9
Molecular Formula:
C19H21NO4S
Molecular Weight:
359.4393
IUPAC Name:
5-(furan-3-yl)-2-(6-phenylhexylsulfonyl)-1,3-oxazole
InChI:
InChI=1S/C19H21NO4S/c21-25(22,19-20-14-18(24-19)17-11-12-23-15-17)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-12,14-15H,1-2,4,7-8,13H2
InChI Key:
CZRZQIKNMUANRM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ncc(o1)c1cocc1)CCCCCCc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.44g/mol
Monoisotopic Mass:
359.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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