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Home > Nitro Compounds > 100970-28-3
100970-28-3 | Benzene, 1,1'-(dimethoxymethylene)bis[4-nitro-
CAS No: 100970-28-3 Catalog No: AG0003C5 MDL No:
Product Description
Catalog Number:
AG0003C5
Chemical Name:
Benzene, 1,1'-(dimethoxymethylene)bis[4-nitro-
CAS Number:
100970-28-3
Molecular Formula:
C15H14N2O6
Molecular Weight:
318.2815
IUPAC Name:
1-[dimethoxy-(4-nitrophenyl)methyl]-4-nitrobenzene
InChI:
InChI=1S/C15H14N2O6/c1-22-15(23-2,11-3-7-13(8-4-11)16(18)19)12-5-9-14(10-6-12)17(20)21/h3-10H,1-2H3
InChI Key:
LGGYPZHGWJXCIW-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)[N+](=O)[O-])(c1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.285g/mol
Monoisotopic Mass:
318.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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