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116476-98-3 | 1H-1,2,4-Triazole, 1,1'-(1,2-ethanediyl)bis-
CAS No: 116476-98-3 Catalog No: AG000CLK MDL No:
Product Description
Catalog Number:
AG000CLK
Chemical Name:
1H-1,2,4-Triazole, 1,1'-(1,2-ethanediyl)bis-
CAS Number:
116476-98-3
Molecular Formula:
C6H8N6
Molecular Weight:
164.1679
IUPAC Name:
1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
InChI:
InChI=1S/C6H8N6/c1(11-5-7-3-9-11)2-12-6-8-4-10-12/h3-6H,1-2H2
InChI Key:
LUOXFPFERXZJIU-UHFFFAOYSA-N
SMILES:
n1cnn(c1)CCn1ncnc1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.172g/mol
Monoisotopic Mass:
164.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Tailoring microstructures of isopolymolybdates: regular tuning of the ligand spacer length and metal coordination preferences. | Dalton transactions (Cambridge, England : 2003) 20100914 |
| Poly[bis-[μ-1,4-bis-(1,2,4-triazol-1-ylmeth-yl)benzene-κN:N]dichloridomanganese(II)]. | Acta crystallographica. Section E, Structure reports online 20100801 |
| Bis[μ-1,2-bis-(1,2,4-triazol-4-yl)ethane]bis-[diiodidozinc(II)]. | Acta crystallographica. Section E, Structure reports online 20100501 |
| A novel dimeric zinc(II) complex: bis[mu-1,2-bis(1H-1,2,4-triazol-1-yl)ethane-kappa(2)N(4):N(4')]bis[diisothiocyanatozinc(II)]. | Acta crystallographica. Section C, Crystal structure communications 20070301 |
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