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Home > Nitro Compounds > 1193389-23-9
1193389-23-9 | 3-methyl-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CAS No: 1193389-23-9 Catalog No: AG019VWG MDL No:MFCD12197260
Product Description
Catalog Number:
AG019VWG
Chemical Name:
3-methyl-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CAS Number:
1193389-23-9
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD12197260
IUPAC Name:
3-methyl-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9N3O3/c1-6-5-8(3-4-9(6)13(14)15)10-11-7(2)12-16-10/h3-5H,1-2H3
InChI Key:
RYMTUWLKBTZRLL-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/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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