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870094-37-4 | 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-10-undecenyl-
CAS No: 870094-37-4 Catalog No: AG004GR2 MDL No:
Product Description
Catalog Number:
AG004GR2
Chemical Name:
2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-10-undecenyl-
CAS Number:
870094-37-4
Molecular Formula:
C17H24N4O3
Molecular Weight:
332.3975
IUPAC Name:
4-nitro-N-undec-10-enyl-2,1,3-benzoxadiazol-7-amine
InChI:
InChI=1S/C17H24N4O3/c1-2-3-4-5-6-7-8-9-10-13-18-14-11-12-15(21(22)23)17-16(14)19-24-20-17/h2,11-12,18H,1,3-10,13H2
InChI Key:
JUNGDRXQODFKFG-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCNc1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.404g/mol
Monoisotopic Mass:
332.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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