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Home > Nitro Compounds > 303777-49-3
303777-49-3 | 1,5-Dibutoxy-4,8-dinitronaphthalene
CAS No: 303777-49-3 Catalog No: AG01EUSK MDL No:
Product Description
Catalog Number:
AG01EUSK
Chemical Name:
1,5-Dibutoxy-4,8-dinitronaphthalene
CAS Number:
303777-49-3
Molecular Formula:
C18H22N2O6
Molecular Weight:
362.3771
IUPAC Name:
1,5-dibutoxy-4,8-dinitronaphthalene
InChI:
InChI=1S/C18H22N2O6/c1-3-5-11-25-15-9-7-14(20(23)24)18-16(26-12-6-4-2)10-8-13(17(15)18)19(21)22/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
XLMZOWRZNHNYRG-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c2c1c(ccc2OCCCC)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.382g/mol
Monoisotopic Mass:
362.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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