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Home > Nitro Compounds > 131889-31-1
131889-31-1 | Acetamide, N-(6-nitro-1-oxido-2,1,3-benzoxadiazol-5-yl)-
CAS No: 131889-31-1 Catalog No: AG000ZVA MDL No:
Product Description
Catalog Number:
AG000ZVA
Chemical Name:
Acetamide, N-(6-nitro-1-oxido-2,1,3-benzoxadiazol-5-yl)-
CAS Number:
131889-31-1
Molecular Formula:
C8H6N4O5
Molecular Weight:
238.1570
IUPAC Name:
N-(5-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-6-yl)acetamide
InChI:
InChI=1S/C8H6N4O5/c1-4(13)9-5-2-6-8(12(16)17-10-6)3-7(5)11(14)15/h2-3H,1H3,(H,9,13)
InChI Key:
IPIWHOGGAJIGTF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(cc1NC(=O)C)no[n+]2[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.159g/mol
Monoisotopic Mass:
238.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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