| CAS Number | 845866-54-8 |
| Catalog Number | AG01EXQU(AGN-PC-3H48D1) |
| Chemical Name | 3-(4-Methylbenzyloxy)bromobenzene |
| IUPAC Name | 1-bromo-3-[(4-methylphenyl)methoxy]benzene |
| InChI | InChI=1S/C14H13BrO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10H2,1H3 |
| InChI Key | UUFVKTIXAXHQQW-UHFFFAOYSA-N |
| MDL Number | MFCD06411661 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | C1=C(C)C=CC(=C1)COC1C=CC=C(Br)C=1 |
| Synonyms | 3-(4-Methylbenzyloxy)bromobenzene,
845866-54-8,
1-bromo-3-[(4-methylphenyl)methoxy]benzene,
3-bromophenyl-(4-methylbenzyl)ether,
AC1MC198,
CTK6B8412,
DTXSID00374915,
ZINC4268690,
AKOS008913124,
MCULE-7834797231,
BC4113115,
RT-019458,
3-bromo-1-[(4-methylphenyl)methoxy]benzene,
ST51042136,
ZINC04268690,
CID2759808,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.161g/mol |
| Monoisotopic Mass | 276.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number