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87472-21-7 | Benzenesulfonyl chloride, 4-[5-[(acetyloxy)methyl]-2-oxo-3-oxazolidinyl]-
CAS No: 87472-21-7 Catalog No: AG004I7D MDL No:
Product Description
Catalog Number:
AG004I7D
Chemical Name:
Benzenesulfonyl chloride, 4-[5-[(acetyloxy)methyl]-2-oxo-3-oxazolidinyl]-
CAS Number:
87472-21-7
Molecular Formula:
C12H12ClNO6S
Molecular Weight:
333.7448
IUPAC Name:
[3-(4-chlorosulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
InChI:
InChI=1S/C12H12ClNO6S/c1-8(15)19-7-10-6-14(12(16)20-10)9-2-4-11(5-3-9)21(13,17)18/h2-5,10H,6-7H2,1H3
InChI Key:
DTIZTMFUUANHBT-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1OC(=O)N(C1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.739g/mol
Monoisotopic Mass:
333.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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