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129549-13-9 | 2-Oxazolidinone, 3-(2-bromoacetyl)-4-(phenylmethyl)-, (4S)-
CAS No: 129549-13-9 Catalog No: AG000Z82 MDL No:
Product Description
Catalog Number:
AG000Z82
Chemical Name:
2-Oxazolidinone, 3-(2-bromoacetyl)-4-(phenylmethyl)-, (4S)-
CAS Number:
129549-13-9
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
IUPAC Name:
(4S)-4-benzyl-3-(2-bromoacetyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H12BrNO3/c13-7-11(15)14-10(8-17-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChI Key:
VHZQCCUDZHVFMO-JTQLQIEISA-N
SMILES:
BrCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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