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921933-48-4 | 1,2,4-Benzotriazin-3-amine, 7-methyl-N-(phenylmethyl)-, 1,4-dioxide
CAS No: 921933-48-4 Catalog No: AG006FTU MDL No:
Product Description
Catalog Number:
AG006FTU
Chemical Name:
1,2,4-Benzotriazin-3-amine, 7-methyl-N-(phenylmethyl)-, 1,4-dioxide
CAS Number:
921933-48-4
Molecular Formula:
C15H14N4O2
Molecular Weight:
282.2973
IUPAC Name:
N-benzyl-7-methyl-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
InChI:
InChI=1S/C15H14N4O2/c1-11-7-8-13-14(9-11)19(21)17-15(18(13)20)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
MMVYURBPLBRSQB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[n+]([O-])nc([n+]2[O-])NCc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.303g/mol
Monoisotopic Mass:
282.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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