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89403-91-8 | 1,2,3-Benzotriazin-4(1H)-one, 6,7,8-trichloro-, 2-oxide
CAS No: 89403-91-8 Catalog No: AG003VYB MDL No:
Product Description
Catalog Number:
AG003VYB
Chemical Name:
1,2,3-Benzotriazin-4(1H)-one, 6,7,8-trichloro-, 2-oxide
CAS Number:
89403-91-8
Molecular Formula:
C7H2Cl3N3O2
Molecular Weight:
266.4687
IUPAC Name:
6,7,8-trichloro-2-oxido-3H-1,2,3-benzotriazin-2-ium-4-one
InChI:
InChI=1S/C7H2Cl3N3O2/c8-3-1-2-6(5(10)4(3)9)11-13(15)12-7(2)14/h1H,(H,11,12,14)
InChI Key:
IYIGENIZAXSNQX-UHFFFAOYSA-N
SMILES:
Clc1cc2c(=O)n[n+]([nH]c2c(c1Cl)Cl)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.921g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.462g/mol
Monoisotopic Mass:
264.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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