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921933-57-5

921933-57-5 | 1,2,4-Benzotriazin-3-amine, 7-chloro-N-phenyl-, 1,4-dioxide

CAS No: 921933-57-5 Catalog No: AG006FTS MDL No:

Product Description

Catalog Number:
AG006FTS
Chemical Name:
1,2,4-Benzotriazin-3-amine, 7-chloro-N-phenyl-, 1,4-dioxide
CAS Number:
921933-57-5
Molecular Formula:
C13H9ClN4O2
Molecular Weight:
288.6892
IUPAC Name:
7-chloro-1,4-dioxido-N-phenyl-1,2,4-benzotriazine-1,4-diium-3-amine
InChI:
InChI=1S/C13H9ClN4O2/c14-9-6-7-11-12(8-9)18(20)16-13(17(11)19)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChI Key:
DEVSLCKYZFDUAI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[n+]([O-])nc([n+]2[O-])Nc1ccccc1

Properties

Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.691g/mol
Monoisotopic Mass:
288.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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