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147595-55-9 | 2-Oxazolidinone, 3-(2-bromoacetyl)-4-methyl-5-phenyl-, (4R,5S)-
CAS No: 147595-55-9 Catalog No: AG001EZJ MDL No:
Product Description
Catalog Number:
AG001EZJ
Chemical Name:
2-Oxazolidinone, 3-(2-bromoacetyl)-4-methyl-5-phenyl-, (4R,5S)-
CAS Number:
147595-55-9
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
IUPAC Name:
(4R,5S)-3-(2-bromoacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H12BrNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m1/s1
InChI Key:
PQQFQURPXMYVCA-LDYMZIIASA-N
SMILES:
BrCC(=O)N1C(=O)O[C@H]([C@H]1C)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
297g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.136g/mol
Monoisotopic Mass:
297g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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