| CAS Number | 62358-81-0 |
| Catalog Number | AG01DWJO(AGN-PC-0NIT53) |
| Chemical Name | 1-(Bromomethyl)-3-chloro-5-methylbenzene |
| IUPAC Name | 1-(bromomethyl)-3-chloro-5-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,5H2,1H3 |
| InChI Key | CUKRIDTZJKXGKH-UHFFFAOYSA-N |
| MDL Number | MFCD18393677 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=CC(CBr)=CC(Cl)=C1 |
| Synonyms | 1-(bromomethyl)-3-chloro-5-methylbenzene,
62358-81-0,
3-chloro-5-methylbenzyl bromide,
3-chloro-5-methybenzylbromide,
SCHEMBL334160,
3-chloro-5-methylbenzylbromide,
CUKRIDTZJKXGKH-UHFFFAOYSA-N,
ZINC84193152,
AKOS017552391,
1-Bromomethyl-3-chloro-5-methylbenzene,
1-Bromomethyl-3-chloro-5-methyl-benzene,
Benzene, 1-(bromomethyl)-3-chloro-5-methyl-,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.506g/mol |
| Monoisotopic Mass | 217.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number