| CAS Number | 32591-43-8 |
| Catalog Number | AG00CLN6(AGN-PC-022LJR) |
| Chemical Name | 5-Bromo-1,2,3-trimethylbenzene |
| IUPAC Name | 5-bromo-1,2,3-trimethylbenzene |
| InChI | InChI=1S/C9H11Br/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,1-3H3 |
| InChI Key | ANUGJSIGXLNJRH-UHFFFAOYSA-N |
| MDL Number | MFCD28746982 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | CC1=CC(=CC(=C1C)C)Br |
| Synonyms | 32591-43-8,
Monobromtrimethylbenzole,
SCHEMBL1755248,
1-Bromo-3,4,5-trimethylbenzene,
Benzene, 5-bromo-1,2,3-trimethyl,
ZINC117009545,
SC-70405,
Benzene, 5-bromo-1,2,3-trimethyl-,
|
| Complexity | 99.3 |
| 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 | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number