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Home > Imidazoles > 84217-52-7
84217-52-7 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-ethyl-1H-imidazol-4-yl)-
CAS No: 84217-52-7 Catalog No: AG004Y73 MDL No:
Product Description
Catalog Number:
AG004Y73
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-ethyl-1H-imidazol-4-yl)-
CAS Number:
84217-52-7
Molecular Formula:
C19H28N2O
Molecular Weight:
300.4384
IUPAC Name:
2,6-ditert-butyl-4-(5-ethyl-1H-imidazol-4-yl)phenol
InChI:
InChI=1S/C19H28N2O/c1-8-15-16(21-11-20-15)12-9-13(18(2,3)4)17(22)14(10-12)19(5,6)7/h9-11,22H,8H2,1-7H3,(H,20,21)
InChI Key:
VHFJNTJJKYFQSK-UHFFFAOYSA-N
SMILES:
CCc1[nH]cnc1c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.446g/mol
Monoisotopic Mass:
300.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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