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Home > Nitro Compounds > 1216654-38-4
1216654-38-4 | 5-(4,5-Dimethoxy-2-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one
CAS No: 1216654-38-4 Catalog No: AG01F77G MDL No:
Product Description
Catalog Number:
AG01F77G
Chemical Name:
5-(4,5-Dimethoxy-2-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1216654-38-4
Molecular Formula:
C10H9N3O6
Molecular Weight:
267.1950
IUPAC Name:
5-(4,5-dimethoxy-2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H9N3O6/c1-17-7-3-5(9-11-12-10(14)19-9)6(13(15)16)4-8(7)18-2/h3-4H,1-2H3,(H,12,14)
InChI Key:
ZORQHIPFXRZXSX-UHFFFAOYSA-N
SMILES:
COc1cc(c2n[nH]c(=O)o2)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.197g/mol
Monoisotopic Mass:
267.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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