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173165-92-9 | Phenol, 4-bromo-2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-
CAS No: 173165-92-9 Catalog No: AG001YOF MDL No:
Product Description
Catalog Number:
AG001YOF
Chemical Name:
Phenol, 4-bromo-2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-
CAS Number:
173165-92-9
Molecular Formula:
C28H33BrO3
Molecular Weight:
497.4638
IUPAC Name:
4-bromo-2,6-bis[(5-tert-butyl-2-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C28H33BrO3/c1-27(2,3)21-7-9-24(30)17(13-21)11-19-15-23(29)16-20(26(19)32)12-18-14-22(28(4,5)6)8-10-25(18)31/h7-10,13-16,30-32H,11-12H2,1-6H3
InChI Key:
ZPIXYGVQKXBPHO-UHFFFAOYSA-N
SMILES:
Brc1cc(Cc2cc(ccc2O)C(C)(C)C)c(c(c1)Cc1cc(ccc1O)C(C)(C)C)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.161g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
497.473g/mol
Monoisotopic Mass:
496.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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