| CAS Number | 86786-24-5 |
| Catalog Number | AG01EXZU(AGN-PC-3H48GN) |
| Chemical Name | 1-Bromo-4-isopropoxy-2-methylbenzene |
| IUPAC Name | 1-bromo-2-methyl-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H13BrO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7H,1-3H3 |
| InChI Key | ISQADIFNVMNUSO-UHFFFAOYSA-N |
| MDL Number | MFCD18917791 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CC(OC1=CC(C)=C(Br)C=C1)C |
| Synonyms | 2-Bromo-5-isopropoxytoluene,
1-Bromo-4-isopropoxy-2-methylbenzene,
86786-24-5,
SCHEMBL16481265,
MFCD18917791,
ZINC95915405,
AKOS017549085,
FS-6037,
1-bromo-2-methyl-4-(propan-2-yloxy)benzene,
F9994-5423,
|
| Complexity | 136 |
| 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 | 2 |
| 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