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108817-77-2 | Isoxazolidine, 2-methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)-, trans-
CAS No: 108817-77-2 Catalog No: AG007BXL MDL No:
Product Description
Catalog Number:
AG007BXL
Chemical Name:
Isoxazolidine, 2-methyl-5-methylene-3-phenyl-4-(phenylsulfonyl)-, trans-
CAS Number:
108817-77-2
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
4-(benzenesulfonyl)-2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine
InChI:
InChI=1S/C17H17NO3S/c1-13-17(22(19,20)15-11-7-4-8-12-15)16(18(2)21-13)14-9-5-3-6-10-14/h3-12,16-17H,1H2,2H3
InChI Key:
XZVLHDTTZUNIOF-UHFFFAOYSA-N
SMILES:
CN1OC(=C)[C@H]([C@@H]1c1ccccc1)S(=O)(=O)c1ccccc1
NSC Number:
612209
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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