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Home > Nitro Compounds > 2059966-08-2
2059966-08-2 | 3-ethyl-5-(4-nitrophenyl)-1,2-oxazole
CAS No: 2059966-08-2 Catalog No: AG01BOI1 MDL No:MFCD30499150
Product Description
Catalog Number:
AG01BOI1
Chemical Name:
3-ethyl-5-(4-nitrophenyl)-1,2-oxazole
CAS Number:
2059966-08-2
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD30499150
IUPAC Name:
3-ethyl-5-(4-nitrophenyl)-1,2-oxazole
InChI:
InChI=1S/C11H10N2O3/c1-2-9-7-11(16-12-9)8-3-5-10(6-4-8)13(14)15/h3-7H,2H2,1H3
InChI Key:
MMEYXXAQHURLEW-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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