| CAS Number | 1250097-04-1 |
| Catalog Number | AG01B8F5 |
| Chemical Name | 1-Bromo-3-[(2-methylpropoxy)methyl]benzene |
| IUPAC Name | 1-bromo-3-(2-methylpropoxymethyl)benzene |
| InChI | InChI=1S/C11H15BrO/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | XNJGKDCOPSEZSH-UHFFFAOYSA-N |
| MDL Number | MFCD14687015 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | BrC1=CC(=CC=C1)COCC(C)C |
| Synonyms | 1-bromo-3-[(2-methylpropoxy)methyl]benzene,
1250097-04-1,
XNJGKDCOPSEZSH-UHFFFAOYSA-N,
ZINC49600988,
AKOS010793700,
3-Bromobenzyl alcohol, 2-methylpropyl ether,
|
| Complexity | 136 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.144g/mol |
| Monoisotopic Mass | 242.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number