| CAS Number | 1516-93-4 |
| Catalog Number | AG001NGK(AGN-PC-0NE0F3) |
| Chemical Name | Phenol, 2-bromo-6-(1,1-dimethylethyl)-4-methyl- |
| IUPAC Name | 2-bromo-6-tert-butyl-4-methylphenol |
| InChI | InChI=1S/C11H15BrO/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,13H,1-4H3 |
| InChI Key | AKUQXFHQPACGKR-UHFFFAOYSA-N |
| MDL Number | MFCD00233129 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | BrC1=C(C(=CC(=C1)C)C(C)(C)C)O |
| Synonyms | 1516-93-4,
2-bromo-6-tert-butyl-4-methylphenol,
2-bromo-6-(tert-butyl)-4-methylphenol,
2-bromo-4-methyl-6-tert-butylphenol,
Phenol, 2-bromo-6-(1,1-dimethylethyl)-4-methyl-,
2-bromo-6-t-butyl-p-cresol,
SCHEMBL1628174,
CTK0E8314,
DTXSID80450968,
AKUQXFHQPACGKR-UHFFFAOYSA-N,
2-t-butyl-4-methyl-6-bromophenol,
ZINC11949663,
6-Bromo-2-tert-butyl-4-methylphenol,
CS-0060009,
2-bromo-4-methyl-6-tert-butyl-phenol,
CID10988477,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.144g/mol |
| Monoisotopic Mass | 242.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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