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1,4-Bis(imidazole-l-ylmethyl)benzene

Catalog Number
ACM56643835-2
Product Name
1,4-Bis(imidazole-l-ylmethyl)benzene
Structure
CAS
56643-83-5
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
Molecular Weight
238.29g/mol
Molecular Formula
C14H14N4
InChI
InChI=1S/C14H14N4/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
InChI Key
NKUFFYFOBGGDTP-UHFFFAOYSA-N
Complexity
224
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
238.121846464g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
238.121846464g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
35.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.3
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