| CAS Number | 57685-37-7 |
| Catalog Number | AG019WNN |
| Chemical Name | 2-Bromo-1-butoxy-4-methylbenzene |
| IUPAC Name | 2-bromo-1-butoxy-4-methylbenzene |
| InChI | InChI=1S/C11H15BrO/c1-3-4-7-13-11-6-5-9(2)8-10(11)12/h5-6,8H,3-4,7H2,1-2H3 |
| InChI Key | MTTSUCJWTOUROS-UHFFFAOYSA-N |
| MDL Number | MFCD11156053 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | c1(ccc(c(c1)Br)OCCCC)C |
| Synonyms | 2-bromo-1-butoxy-4-methylbenzene,
57685-37-7,
1-Bromo-2-n-butyloxy-5-methylbenzene,
AC1Q2XCY,
SCHEMBL12603165,
CTK6E3426,
ZINC20077746,
AKOS000261803,
MCULE-6939565289,
NE25659,
EN300-52539,
Z291788284,
|
| Complexity | 138 |
| 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 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number