| CAS Number | 90350-28-0 |
| Catalog Number | AG01EYZ1(AGN-PC-0WCTRV) |
| Chemical Name | 5-Bromo-2-chloroisopropylbenzene |
| IUPAC Name | 4-bromo-1-chloro-2-propan-2-ylbenzene |
| InChI | InChI=1S/C9H10BrCl/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,1-2H3 |
| InChI Key | XJPCNKJPZYPGSP-UHFFFAOYSA-N |
| MDL Number | MFCD11845957 |
| Molecular Formula | C9H10BrCl |
| Molecular Weight | 233.5327 |
| SMILES | BrC=1C=CC(=C(C1)C(C)C)Cl |
| Synonyms | 5-Bromo-2-chloroisopropylbenzene,
90350-28-0,
5-Bromo-2-chlorocumene,
SCHEMBL3238012,
XJPCNKJPZYPGSP-UHFFFAOYSA-N,
1-Bromo-3-isopropyl-4-chlorobenzene,
4-bromo-1-chloro-2-isopropylbenzene,
MFCD11845957,
ZINC65356379,
AKOS025403195,
4-bromo-1-chloro-2-(propan-2-yl)benzene,
4-Bromo-1-chloro-2-(1-methylethyl)benzene,
Benzene, 4-bromo-1-chloro-2-(1-methylethyl)-,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.533g/mol |
| Monoisotopic Mass | 231.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number