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Home > Nitro Compounds > 75762-43-5
75762-43-5 | 1,1'-[PROPANE-1,3-DIYLBIS(OXY)]BIS[2,4-DINITROBENZENE]
CAS No: 75762-43-5 Catalog No: AG005ACC MDL No:
Product Description
Catalog Number:
AG005ACC
Chemical Name:
1,1'-[PROPANE-1,3-DIYLBIS(OXY)]BIS[2,4-DINITROBENZENE]
CAS Number:
75762-43-5
Molecular Formula:
C15H12N4O10
Molecular Weight:
408.2766
IUPAC Name:
1-[3-(2,4-dinitrophenoxy)propoxy]-2,4-dinitrobenzene
InChI:
InChI=1S/C15H12N4O10/c20-16(21)10-2-4-14(12(8-10)18(24)25)28-6-1-7-29-15-5-3-11(17(22)23)9-13(15)19(26)27/h2-5,8-9H,1,6-7H2
InChI Key:
IXBVTQBLDYIPSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OCCCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
EC Number:
278-303-4
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.055g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.279g/mol
Monoisotopic Mass:
408.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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