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921933-30-4 | 1,2,4-Benzotriazin-3-amine, N-ethyl-7-methoxy-, 1-oxide
CAS No: 921933-30-4 Catalog No: AG006FTY MDL No:
Product Description
Catalog Number:
AG006FTY
Chemical Name:
1,2,4-Benzotriazin-3-amine, N-ethyl-7-methoxy-, 1-oxide
CAS Number:
921933-30-4
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
IUPAC Name:
N-ethyl-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
InChI:
InChI=1S/C10H12N4O2/c1-3-11-10-12-8-5-4-7(16-2)6-9(8)14(15)13-10/h4-6H,3H2,1-2H3,(H,11,12,13)
InChI Key:
KNSSJUJRVFLZJB-UHFFFAOYSA-N
SMILES:
CCNc1n[n+]([O-])c2c(n1)ccc(c2)OC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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