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Home > Nitro Compounds > 5198-52-7
5198-52-7 | 3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CAS No: 5198-52-7 Catalog No: AG019XKO MDL No:MFCD08728126
Product Description
Catalog Number:
AG019XKO
Chemical Name:
3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CAS Number:
5198-52-7
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD08728126
IUPAC Name:
3-(4-nitrophenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H8N2O4/c12-9-10(5-6-15-9)7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:
HQHDWXOWQVUKNQ-UHFFFAOYSA-N
SMILES:
O=C1OCCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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