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Home > Nitro Compounds > 287942-22-7
287942-22-7 | 1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-5-(3-methyl-4-nitrophenyl)-
CAS No: 287942-22-7 Catalog No: AG002WHQ MDL No:
Product Description
Catalog Number:
AG002WHQ
Chemical Name:
1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-5-(3-methyl-4-nitrophenyl)-
CAS Number:
287942-22-7
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
2-tert-butyl-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C13H15N3O3/c1-8-7-9(5-6-10(8)16(17)18)11-14-15-12(19-11)13(2,3)4/h5-7H,1-4H3
InChI Key:
GOGMWJDGNVEDIB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)c1nnc(o1)C(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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