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2091-51-2 | Phenol, 4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)-
CAS No: 2091-51-2 Catalog No: AG002K1H MDL No:
Product Description
Catalog Number:
AG002K1H
Chemical Name:
Phenol, 4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)-
CAS Number:
2091-51-2
Molecular Formula:
C15H23BrO
Molecular Weight:
299.2465
IUPAC Name:
4-(bromomethyl)-2,6-ditert-butylphenol
InChI:
InChI=1S/C15H23BrO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,9H2,1-6H3
InChI Key:
YEOQCOZNFXPHHY-UHFFFAOYSA-N
SMILES:
BrCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.252g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| 2,6-Di-tert-butyl-4-(methoxy-meth-yl)phenol. | Acta crystallographica. Section E, Structure reports online 20080301 |
| 2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol. | Acta crystallographica. Section E, Structure reports online 20080201 |
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