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121895-44-1 | 2-Oxazolidinone, 3-(bromoacetyl)-4-(1-methylethyl)-, (4R)-
CAS No: 121895-44-1 Catalog No: AG0016CC MDL No:
Product Description
Catalog Number:
AG0016CC
Chemical Name:
2-Oxazolidinone, 3-(bromoacetyl)-4-(1-methylethyl)-, (4R)-
CAS Number:
121895-44-1
Molecular Formula:
C8H12BrNO3
Molecular Weight:
250.0898
IUPAC Name:
(4R)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChI Key:
OBCDZJOBILYTMH-LURJTMIESA-N
SMILES:
BrCC(=O)N1C(=O)OC[C@H]1C(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.092g/mol
Monoisotopic Mass:
249g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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