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Home > Imidazoles > 84217-78-7
84217-78-7 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-phenyl-1H-imidazol-4-yl)-
CAS No: 84217-78-7 Catalog No: AG004RJS MDL No:
Product Description
Catalog Number:
AG004RJS
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-phenyl-1H-imidazol-4-yl)-
CAS Number:
84217-78-7
Molecular Formula:
C23H28N2O
Molecular Weight:
348.4812
IUPAC Name:
2,6-ditert-butyl-4-(5-phenyl-1H-imidazol-4-yl)phenol
InChI:
InChI=1S/C23H28N2O/c1-22(2,3)17-12-16(13-18(21(17)26)23(4,5)6)20-19(24-14-25-20)15-10-8-7-9-11-15/h7-14,26H,1-6H3,(H,24,25)
InChI Key:
LBIIBXZXQOHHLI-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)c1nc[nH]c1c1ccccc1)C(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.49g/mol
Monoisotopic Mass:
348.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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