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Home > Nitro Compounds > 442571-86-0
442571-86-0 | 5-Cyclohexyl-3-(3-nitrophenyl);-1,2,4-oxadiazole
CAS No: 442571-86-0 Catalog No: AG003MPJ MDL No:MFCD04208216
Product Description
Catalog Number:
AG003MPJ
Chemical Name:
5-Cyclohexyl-3-(3-nitrophenyl);-1,2,4-oxadiazole
CAS Number:
442571-86-0
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
MDL Number:
MFCD04208216
IUPAC Name:
5-cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H15N3O3/c18-17(19)12-8-4-7-11(9-12)13-15-14(20-16-13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChI Key:
WQLIQMGJEJUWCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1noc(n1)C1CCCCC1
Properties
Complexity:
341
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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