| CAS Number | 17821-06-6 |
| Catalog Number | AG01C82S |
| Chemical Name | 4-bromo-2-methyl-1-(propan-2-yl)benzene |
| IUPAC Name | 4-bromo-2-methyl-1-propan-2-ylbenzene |
| InChI | InChI=1S/C10H13Br/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,1-3H3 |
| InChI Key | PUKYTSMWXQOQKI-UHFFFAOYSA-N |
| MDL Number | MFCD27946280 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CC(C1=C(C)C=C(Br)C=C1)C |
| Synonyms | 4-bromo-1-isopropyl-2-methylbenzene,
17821-06-6,
Benzene, 4-bromo-2-methyl-1-(1-methylethyl)-,
SCHEMBL5301444,
AKOS034077483,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.118g/mol |
| Monoisotopic Mass | 212.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number