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2,4,6-Tri(4-pyridyl)-1,3,5-triazine

Catalog Number
ACM42333788-4
CAS Number
42333-78-8
Product Name
2,4,6-Tri(4-pyridyl)-1,3,5-triazine
Structure
Category
Metal Organic Frameworks (MOFs)
Synonyms
1,3,5-Tris(4-pyridyl)-2,4,6-triazine; 2,4,6-Tri(pyridin-4-yl)-1,3,5-triazine
IUPAC Name
2,4,6-tripyridin-4-yl-1,3,5-triazine
Molecular Weight
312.33
Molecular Formula
C18H12N6
Canonical SMILES
C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
InChI
CBMYFVSIIYILRH-UHFFFAOYSA-N
InChI Key
InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
Boiling Point
642.7 °C at 760 mmHg
Melting Point
372-374 °C
Purity
95%
Appearance
Off-white powder
Complexity
305
Covalently-Bonded Unit Count
1
Exact Mass
312.11234441
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Monoisotopic Mass
312.11234441
NSC Number
250957
Rotatable Bond Count
3
Topological Polar Surface Area
77.3 Ų
XLogP3
1.7
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