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921933-24-6

921933-24-6 | 1,2,4-Benzotriazin-3-amine, N-(phenylmethyl)-, 1-oxide

CAS No: 921933-24-6 Catalog No: AG006FTZ MDL No:

Product Description

Catalog Number:
AG006FTZ
Chemical Name:
1,2,4-Benzotriazin-3-amine, N-(phenylmethyl)-, 1-oxide
CAS Number:
921933-24-6
Molecular Formula:
C14H12N4O
Molecular Weight:
252.2713
IUPAC Name:
N-benzyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
InChI:
InChI=1S/C14H12N4O/c19-18-13-9-5-4-8-12(13)16-14(17-18)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16,17)
InChI Key:
BRZAZKMTDNZWQA-UHFFFAOYSA-N
SMILES:
[O-][n+]1nc(NCc2ccccc2)nc2c1cccc2

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.101g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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