| CAS Number | 18800-35-6 |
| Catalog Number | AG002GND(AGN-PC-03XCDK) |
| Chemical Name | 1-(2-Bromoethoxy)-2,4-dimethylbenzene |
| IUPAC Name | 1-(2-bromoethoxy)-2,4-dimethylbenzene |
| InChI | InChI=1S/C10H13BrO/c1-8-3-4-10(9(2)7-8)12-6-5-11/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | XFABTWHRMOSZRA-UHFFFAOYSA-N |
| MDL Number | MFCD02030842 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | C1(C)C=C(C)C=CC=1OCCBr |
| Synonyms | 1-(2-bromoethoxy)-2,4-dimethylbenzene,
18800-35-6,
SCHEMBL3130943,
CTK4D9692,
DTXSID80629778,
MFCD02030842,
ZINC15014447,
AKOS000186660,
AJ-66722,
Benzene, 1-(2-bromoethoxy)-2,4-dimethyl-,
W-8952,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number