| CAS Number | 3575-19-7 |
| Catalog Number | AG01ELXV(AGN-PC-0NJ5SA) |
| Chemical Name | (2-Bromopropan-2-yl)benzene |
| IUPAC Name | 2-bromopropan-2-ylbenzene |
| InChI | InChI=1S/C9H11Br/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChI Key | WSFSJXBURLJOFD-UHFFFAOYSA-N |
| MDL Number | MFCD10698752 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | CC(C1=CC=CC=C1)(Br)C |
| Synonyms | cumyl bromide,
2-bromo-2-phenylpropane,
WSFSJXBURLJOFD-UHFFFAOYSA-N,
3575-19-7,
(2-bromopropan-2-yl)benzene,
SCHEMBL642315,
2-(bromo-1-methyl-ethyl)-benzene,
Benzene, (1-bromo-1-methylethyl)-,
TL8003753,
4-Bromoisopropylbenzene,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.091g/mol |
| Monoisotopic Mass | 198.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number