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Home > Imidazoles > 810669-72-8
810669-72-8 | Phenol, 2-(1H-benzimidazol-2-yl)-4,6-bis(1,1-dimethylethyl)-
CAS No: 810669-72-8 Catalog No: AG005HI1 MDL No:
Product Description
Catalog Number:
AG005HI1
Chemical Name:
Phenol, 2-(1H-benzimidazol-2-yl)-4,6-bis(1,1-dimethylethyl)-
CAS Number:
810669-72-8
Molecular Formula:
C21H26N2O
Molecular Weight:
322.4439
IUPAC Name:
2-(1H-benzimidazol-2-yl)-4,6-ditert-butylphenol
InChI:
InChI=1S/C21H26N2O/c1-20(2,3)13-11-14(18(24)15(12-13)21(4,5)6)19-22-16-9-7-8-10-17(16)23-19/h7-12,24H,1-6H3,(H,22,23)
InChI Key:
XXTGYWNIODZMHM-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1nc2c([nH]1)cccc2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.452g/mol
Monoisotopic Mass:
322.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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