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Home > Nitro Compounds > 20899-75-6
20899-75-6 | Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro-
CAS No: 20899-75-6 Catalog No: AG002K02 MDL No:
Product Description
Catalog Number:
AG002K02
Chemical Name:
Benzene, 1,1'-(1,3-propanediyl)bis[2,4-dinitro-
CAS Number:
20899-75-6
Molecular Formula:
C15H12N4O8
Molecular Weight:
376.2778
IUPAC Name:
1-[3-(2,4-dinitrophenyl)propyl]-2,4-dinitrobenzene
InChI:
InChI=1S/C15H12N4O8/c20-16(21)12-6-4-10(14(8-12)18(24)25)2-1-3-11-5-7-13(17(22)23)9-15(11)19(26)27/h4-9H,1-3H2
InChI Key:
JROVLLHHOCLUTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1CCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.066g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.281g/mol
Monoisotopic Mass:
376.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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