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Home > Nitro Compounds > 10185-65-6
10185-65-6 | 1,2,4-Oxadiazole, 5-ethyl-3-(4-nitrophenyl)-
CAS No: 10185-65-6 Catalog No: AG0005QN MDL No:MFCD09972166
Product Description
Catalog Number:
AG0005QN
Chemical Name:
1,2,4-Oxadiazole, 5-ethyl-3-(4-nitrophenyl)-
CAS Number:
10185-65-6
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD09972166
IUPAC Name:
5-ethyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9N3O3/c1-2-9-11-10(12-16-9)7-3-5-8(6-4-7)13(14)15/h3-6H,2H2,1H3
InChI Key:
RLXJOMUXHZMTCH-UHFFFAOYSA-N
SMILES:
CCc1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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