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94953-04-5 | 2-Oxazolidinone, 4-(iodomethyl)-4-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS No: 94953-04-5 Catalog No: AG006QS5 MDL No:
Product Description
Catalog Number:
AG006QS5
Chemical Name:
2-Oxazolidinone, 4-(iodomethyl)-4-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS Number:
94953-04-5
Molecular Formula:
C12H14INO4S
Molecular Weight:
395.2133
IUPAC Name:
4-(iodomethyl)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H14INO4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(15)18-8-12(14,2)7-13/h3-6H,7-8H2,1-2H3
InChI Key:
FELFMFNKYDESDQ-UHFFFAOYSA-N
SMILES:
ICC1(C)COC(=O)N1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.969g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.211g/mol
Monoisotopic Mass:
394.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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