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Home > Nitro Compounds > 824400-69-3
824400-69-3 | Benzene, 1,1'-(1,2-dinitro-1,2-ethanediyl)bis[4-methyl-
CAS No: 824400-69-3 Catalog No: AG005B4I MDL No:
Product Description
Catalog Number:
AG005B4I
Chemical Name:
Benzene, 1,1'-(1,2-dinitro-1,2-ethanediyl)bis[4-methyl-
CAS Number:
824400-69-3
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
1-methyl-4-[2-(4-methylphenyl)-1,2-dinitroethyl]benzene
InChI:
InChI=1S/C16H16N2O4/c1-11-3-7-13(8-4-11)15(17(19)20)16(18(21)22)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
InChI Key:
GFNVQOLLMRWFHV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(C(c1ccc(cc1)C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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