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1H,7H-[1,4]Dioxino[2,3-f:5,6-f']bisbenzotriazole

Catalog Number
ACM1276042433-1
Product Name
1H,7H-[1,4]Dioxino[2,3-f:5,6-f']bisbenzotriazole
CAS
1276042-43-3
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
Synonyms
H2btdd
IUPAC Name
2,12-dioxa-6,7,8,16,17,18-hexazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5,8,10,13,15,18-octaene
Molecular Weight
266.21
Molecular Formula
C12H6N6O2
InChI
InChI=1S/C12H6N6O2/c1-5-6(14-17-13-5)2-10-9(1)19-11-3-7-8(16-18-15-7)4-12(11)20-10/h1-4H,(H,13,14,17)(H,15,16,18)
InChI Key
VEYCGCHHIAFXIL-UHFFFAOYSA-N
Purity
97%
Appearance
Brown powder
Complexity
330
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
266.05522346g/mol
Formal Charge
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
266.05522346g/mol
Rotatable Bond Count
0
Topological Polar Surface Area
102Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1
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