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1139-52-2 | Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-
CAS No: 1139-52-2 Catalog No: AG000A19 MDL No:MFCD00051598
Product Description
Catalog Number:
AG000A19
Chemical Name:
Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-
CAS Number:
1139-52-2
Molecular Formula:
C14H21BrO
Molecular Weight:
285.2199
MDL Number:
MFCD00051598
IUPAC Name:
4-bromo-2,6-ditert-butylphenol
InChI:
InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChI Key:
SSQQUEKFNSJLKX-UHFFFAOYSA-N
SMILES:
Brc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
EC Number:
214-521-8
NSC Number:
98406
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.225g/mol
Monoisotopic Mass:
284.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Design and synthesis of 2,6-diprenyl-4-iodophenol TX-1952 with a novel and potent anti-peroxidative activity. | Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20020501 |
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