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1H-1,2,4-Triazole,1,1'-methylenebis-

Catalog Number
ACM63400511-2
CAS Number
63400-51-1
Product Name
1H-1,2,4-Triazole,1,1'-methylenebis-
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
Synonyms
1-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazole; Di(1H-1,2,4-triazol-1-yl)methane
IUPAC Name
1-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazole
Molecular Weight
150.14
Molecular Formula
C5H6N6
InChI
InChI=1S/C5H6N6/c1-6-3-10(8-1)5-11-4-7-2-9-11/h1-4H,5H2
InChI Key
ZOCJJXFFDQZWMV-UHFFFAOYSA-N
Purity
98%
Complexity
114
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
150.06539422g/mol
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
150.06539422g/mol
NSC Number
373760
Rotatable Bond Count
2
Topological Polar Surface Area
61.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.1
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