| CAS Number | 749927-58-0 |
| Catalog Number | AG00ICL7(AGN-PC-0WG4WW) |
| Chemical Name | 4-Bromo-1-isopropoxy-2-methylbenzene |
| IUPAC Name | 4-bromo-2-methyl-1-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H13BrO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,1-3H3 |
| InChI Key | MHMLHICCHCBHBO-UHFFFAOYSA-N |
| MDL Number | MFCD12547897 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | C1(=CC=C(C=C1C)Br)OC(C)C |
| Synonyms | 4-Bromo-1-isopropoxy-2-methylbenzene,
749927-58-0,
5-Bromo-2-isopropoxytoluene,
SCHEMBL2284093,
MHMLHICCHCBHBO-UHFFFAOYSA-N,
MFCD12547897,
ZINC40571723,
AKOS012519401,
4-bromo-1-isopropoxy-2-methyl-benzene,
4-Bromo-2-methyl-1-(1-methylethoxy)benzene,
Z0826,
4-bromo-2-methyl-1-(propan-2-yloxy)benzene,
Q-7197,
Benzene, 4-bromo-2-methyl-1-(1-methylethoxy)-,
C10H13BrO,
|
| 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 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number