| CAS Number | 1067678-33-4 |
| Catalog Number | AG01C576 |
| Chemical Name | 1-(Bromomethyl)-3-(2-methylpropoxy)benzene |
| IUPAC Name | 1-(bromomethyl)-3-(2-methylpropoxy)benzene |
| InChI | InChI=1S/C11H15BrO/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | ILFNTKVUIFBWRK-UHFFFAOYSA-N |
| MDL Number | MFCD11180490 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | CC(COC1=CC(CBr)=CC=C1)C |
| Synonyms | 1-(bromomethyl)-3-(2-methylpropoxy)benzene,
1067678-33-4,
SCHEMBL272030,
ILFNTKVUIFBWRK-UHFFFAOYSA-N,
1-(bromomethyl)-3-isobutoxybenzene,
ZINC36894794,
FT-0751653,
|
| 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