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102565-91-3 | 2,1,3-Benzoxadiazol-4-amine, N-dodecyl-7-nitro-
CAS No: 102565-91-3 Catalog No: AG0007QE MDL No:
Product Description
Catalog Number:
AG0007QE
Chemical Name:
2,1,3-Benzoxadiazol-4-amine, N-dodecyl-7-nitro-
CAS Number:
102565-91-3
Molecular Formula:
C18H28N4O3
Molecular Weight:
348.4399
IUPAC Name:
N-dodecyl-4-nitro-2,1,3-benzoxadiazol-7-amine
InChI:
InChI=1S/C18H28N4O3/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16(22(23)24)18-17(15)20-25-21-18/h12-13,19H,2-11,14H2,1H3
InChI Key:
VSQQJVDMJHAKEV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNc1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.216g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.447g/mol
Monoisotopic Mass:
348.216g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Polymer nanofibre junctions of attolitre volume serve as zeptomole-scale chemical reactors. | Nature chemistry 20090401 |
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