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129449-06-5 | 2-Oxazolidinone, 3-[2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-
CAS No: 129449-06-5 Catalog No: AG000Z50 MDL No:
Product Description
Catalog Number:
AG000Z50
Chemical Name:
2-Oxazolidinone, 3-[2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-
CAS Number:
129449-06-5
Molecular Formula:
C9H12N4O5
Molecular Weight:
256.2154
IUPAC Name:
3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H12N4O5/c14-7(6-12-3-4-18-9(12)15)5-11-2-1-10-8(11)13(16)17/h1-2,7,14H,3-6H2
InChI Key:
ATZLNNCRLCUSCS-UHFFFAOYSA-N
SMILES:
OC(Cn1ccnc1[N+](=O)[O-])CN1CCOC1=O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.218g/mol
Monoisotopic Mass:
256.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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