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921933-41-7

921933-41-7 | 1,2,4-Benzotriazin-3-amine, 7-nitro-N-phenyl-, 1-oxide

CAS No: 921933-41-7 Catalog No: AG006FTW MDL No:

Product Description

Catalog Number:
AG006FTW
Chemical Name:
1,2,4-Benzotriazin-3-amine, 7-nitro-N-phenyl-, 1-oxide
CAS Number:
921933-41-7
Molecular Formula:
C13H9N5O3
Molecular Weight:
283.2423
IUPAC Name:
7-nitro-1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-amine
InChI:
InChI=1S/C13H9N5O3/c19-17-12-8-10(18(20)21)6-7-11(12)15-13(16-17)14-9-4-2-1-3-5-9/h1-8H,(H,14,15,16)
InChI Key:
CAPYJIXOLQJEGE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[n+]([O-])nc(n2)Nc1ccccc1

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.071g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.247g/mol
Monoisotopic Mass:
283.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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