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29218-51-7 | Phenol, 4-[2-(1H-benzimidazol-2-yl)ethyl]-2,6-bis(1,1-dimethylethyl)-
CAS No: 29218-51-7 Catalog No: AG002XRG MDL No:
Product Description
Catalog Number:
AG002XRG
Chemical Name:
Phenol, 4-[2-(1H-benzimidazol-2-yl)ethyl]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
29218-51-7
Molecular Formula:
C23H30N2O
Molecular Weight:
350.4971
IUPAC Name:
4-[2-(1H-benzimidazol-2-yl)ethyl]-2,6-ditert-butylphenol
InChI:
InChI=1S/C23H30N2O/c1-22(2,3)16-13-15(14-17(21(16)26)23(4,5)6)11-12-20-24-18-9-7-8-10-19(18)25-20/h7-10,13-14,26H,11-12H2,1-6H3,(H,24,25)
InChI Key:
KVTOZXNHPVAVEF-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)CCc1nc2c([nH]1)cccc2)C(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.506g/mol
Monoisotopic Mass:
350.236g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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