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144648-45-3 | 2,4'-Bi-1H-imidazole (9CI)
CAS No: 144648-45-3 Catalog No: AG001JWR MDL No:
Product Description
Catalog Number:
AG001JWR
Chemical Name:
2,4'-Bi-1H-imidazole (9CI)
CAS Number:
144648-45-3
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
2-(1H-imidazol-5-yl)-1H-imidazole
InChI:
InChI=1S/C6H6N4/c1-2-9-6(8-1)5-3-7-4-10-5/h1-4H,(H,7,10)(H,8,9)
InChI Key:
XWHKSDHUFQIWQI-UHFFFAOYSA-N
SMILES:
[nH]1cnc(c1)c1[nH]ccn1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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