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Home > Nitro Compounds > 88059-57-8
88059-57-8 | 1,2,5-Oxadiazole, 3-methyl-4-(3-nitrophenyl)-
CAS No: 88059-57-8 Catalog No: AG004FG9 MDL No:
Product Description
Catalog Number:
AG004FG9
Chemical Name:
1,2,5-Oxadiazole, 3-methyl-4-(3-nitrophenyl)-
CAS Number:
88059-57-8
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
3-methyl-4-(3-nitrophenyl)-1,2,5-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-9(11-15-10-6)7-3-2-4-8(5-7)12(13)14/h2-5H,1H3
InChI Key:
QWKOHXCUZCRORL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nonc1C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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