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Home > Nitro Compounds > 54608-93-4
54608-93-4 | 5-Cyclohexyl-3-(4-nitrophenyl);-1,2,4-oxadiazole
CAS No: 54608-93-4 Catalog No: AG003MPK MDL No:MFCD01933303
Product Description
Catalog Number:
AG003MPK
Chemical Name:
5-Cyclohexyl-3-(4-nitrophenyl);-1,2,4-oxadiazole
CAS Number:
54608-93-4
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
MDL Number:
MFCD01933303
IUPAC Name:
5-cyclohexyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H15N3O3/c18-17(19)12-8-6-10(7-9-12)13-15-14(20-16-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChI Key:
QCKSSCILOJWUDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)C1CCCCC1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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