| CAS Number | 868860-20-2 |
| Catalog Number | AG01B253 |
| Chemical Name | 1-(Bromomethyl)-2-Chloro-4-Methylbenzene |
| IUPAC Name | 1-(bromomethyl)-2-chloro-4-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3 |
| InChI Key | NMLVMLXVZWSOGU-UHFFFAOYSA-N |
| MDL Number | MFCD18393676 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=CC(=C(C=C1)CBr)Cl |
| Synonyms | 1-(bromomethyl)-2-chloro-4-methylbenzene,
868860-20-2,
SCHEMBL16998685,
2-Chloro-4-methylbenzyl bromide,
ZINC202651263,
|
| 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 |
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Certificate of Analysis
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