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Home > Nitro Compounds > 16551-84-1
16551-84-1 | Benzene, 1,2-dimethoxy-4-nitro-5-(2-nitroethenyl)-
CAS No: 16551-84-1 Catalog No: AG001W79 MDL No:
Product Description
Catalog Number:
AG001W79
Chemical Name:
Benzene, 1,2-dimethoxy-4-nitro-5-(2-nitroethenyl)-
CAS Number:
16551-84-1
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
IUPAC Name:
1,2-dimethoxy-4-nitro-5-(2-nitroethenyl)benzene
InChI:
InChI=1S/C10H10N2O6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3
InChI Key:
LUCVJGSTUQBGFD-UHFFFAOYSA-N
SMILES:
COc1cc(C=C[N+](=O)[O-])c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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