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Home > Nitro Compounds > 88151-10-4
88151-10-4 | 2-Oxazolidinone, 3-(1,1-dimethylethyl)-5-(4-nitrophenyl)-
CAS No: 88151-10-4 Catalog No: AG004ECE MDL No:
Product Description
Catalog Number:
AG004ECE
Chemical Name:
2-Oxazolidinone, 3-(1,1-dimethylethyl)-5-(4-nitrophenyl)-
CAS Number:
88151-10-4
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
3-tert-butyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H16N2O4/c1-13(2,3)14-8-11(19-12(14)16)9-4-6-10(7-5-9)15(17)18/h4-7,11H,8H2,1-3H3
InChI Key:
IBONWXNTOFYLKU-UHFFFAOYSA-N
SMILES:
CC(N1CC(OC1=O)c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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