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Home > Nitro Compounds > 88159-19-7
88159-19-7 | 2,1,3-Benzoxadiazole, 4-(1-aziridinyl)-7-nitro-
CAS No: 88159-19-7 Catalog No: AG004E5T MDL No:
Product Description
Catalog Number:
AG004E5T
Chemical Name:
2,1,3-Benzoxadiazole, 4-(1-aziridinyl)-7-nitro-
CAS Number:
88159-19-7
Molecular Formula:
C8H6N4O3
Molecular Weight:
206.1582
IUPAC Name:
7-(aziridin-1-yl)-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C8H6N4O3/c13-12(14)6-2-1-5(11-3-4-11)7-8(6)10-15-9-7/h1-2H,3-4H2
InChI Key:
GVPYYEPUPIEXON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)N1CC1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.161g/mol
Monoisotopic Mass:
206.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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