| CAS Number | 52458-11-4 |
| Catalog Number | AG006TWH(AGN-PC-003YH4) |
| Chemical Name | 1-Benzyloxy-2-bromo-4-t-butylbenzene |
| IUPAC Name | 2-bromo-4-tert-butyl-1-phenylmethoxybenzene |
| InChI | InChI=1S/C17H19BrO/c1-17(2,3)14-9-10-16(15(18)11-14)19-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3 |
| InChI Key | KZHKNVNBJZCORJ-UHFFFAOYSA-N |
| MDL Number | MFCD21609718 |
| Molecular Formula | C17H19BrO |
| Molecular Weight | 319.2362 |
| SMILES | c1c(cc(c(c1)OCc1ccccc1)Br)C(C)(C)C |
| Synonyms | 1-Benzyloxy-2-bromo-4-t-butylbenzene,
52458-11-4,
ACMC-209kzj,
C17H19BrO,
SCHEMBL12772153,
CTK8B1815,
DTXSID80569145,
ANW-31469,
MFCD21609718,
ZINC85482156,
AKOS025295422,
1-(Benzyloxy)-2-bromo-4-tert-butylbenzene,
TC-120214,
V6381,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.242g/mol |
| Monoisotopic Mass | 318.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number