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Home > Nitro Compounds > 86181-86-4
86181-86-4 | 5-[(4-nitrophenoxy)methyl]oxazolidin-2-one
CAS No: 86181-86-4 Catalog No: AG004OKY MDL No:
Product Description
Catalog Number:
AG004OKY
Chemical Name:
5-[(4-nitrophenoxy)methyl]oxazolidin-2-one
CAS Number:
86181-86-4
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
IUPAC Name:
5-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H10N2O5/c13-10-11-5-9(17-10)6-16-8-3-1-7(2-4-8)12(14)15/h1-4,9H,5-6H2,(H,11,13)
InChI Key:
MYOPNYINKURZDA-UHFFFAOYSA-N
SMILES:
O=C1NCC(O1)COc1ccc(cc1)[N+](=O)[O-]
NSC Number:
369427
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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