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Home > Nitro Compounds > 460722-56-9
460722-56-9 | 2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazole
CAS No: 460722-56-9 Catalog No: AG019LHN MDL No:MFCD09971450
Product Description
Catalog Number:
AG019LHN
Chemical Name:
2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazole
CAS Number:
460722-56-9
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD09971450
IUPAC Name:
2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-2-3-7(4-8(6)12(13)14)9-11-10-5-15-9/h2-5H,1H3
InChI Key:
AQGJNTCYASXHEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)c1nnco1
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:
1.6
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