| CAS Number | 65232-55-5 |
| Catalog Number | AG00IBH2(AGN-PC-01ZU1A) |
| Chemical Name | Benzene, 2-bromo-1-ethyl-3-methyl- |
| IUPAC Name | 2-bromo-1-ethyl-3-methylbenzene |
| InChI | InChI=1S/C9H11Br/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3 |
| InChI Key | KOJNEAZHYRZOPM-UHFFFAOYSA-N |
| MDL Number | MFCD00005353 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | C1C(CC)=C(Br)C(C)=CC=1 |
| Synonyms | 2-Bromo-1-ethyl-3-methylbenzene,
65232-55-5,
1-bromo-2-ethyl-6-methylbenzene,
2-Bromo-3-ethyltoluene,
2-ethyl-6-methyl-bromobenzene,
SCHEMBL3158096,
DTXSID70595615,
1-Ethyl-2-bromo-3-methylbenzene,
KOJNEAZHYRZOPM-UHFFFAOYSA-N,
ZINC49811938,
AKOS006345549,
Benzene, 2-bromo-1-ethyl-3-methyl-,
SC-43162,
FT-0700854,
|
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number